3-Fluoro-5-(trifluoromethyl)benzylamine

• CAS: 150517-77-4
• Catalog Number: ACM150517774
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 193.14
• Molecular Formula: C₈H₇FO₃
• Synonyms: 345768_ALDRICH, JRD-0560, 3-Fluoro-5-trifluoromethyl-benzylamine, CID2733304, 3-Fluoro-5-(trifluoromethyl)benzylamine, LT03332169, [3-fluoro-5-(trifluoromethyl)phenyl]methanamine, 150517-77-4
• IUPAC Name: [3-fluoro-5-(trifluoromethyl)phenyl]methanamine
• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)F)CN
• InChI Key: ADHUUMWSWNPEMZ-UHFFFAOYSA-N
• Boiling Point: 172.3ºC at 760mmHg
• Flash Point: 76.7ºC
• Density: 1.31
• Exact Mass: 193.05100
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 5
• H-Bond Donor: 1
• Packing Group: III
• RIDADR: NONH for all modes of transport
• Safety Description: S26-S36/37/39-S45
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 3-Fluoro-5-(trifluoromethyl)benzylamine?

The molecular formula of 3-Fluoro-5-(trifluoromethyl)benzylamine is C8H7F4N.

What is the molecular weight of 3-Fluoro-5-(trifluoromethyl)benzylamine?

The molecular weight of 3-Fluoro-5-(trifluoromethyl)benzylamine is 193.14 g/mol.

What is the IUPAC name of 3-Fluoro-5-(trifluoromethyl)benzylamine?

The IUPAC name of 3-Fluoro-5-(trifluoromethyl)benzylamine is [3-fluoro-5-(trifluoromethyl)phenyl]methanamine.

What is the Canonical SMILES of 3-Fluoro-5-(trifluoromethyl)benzylamine?

The Canonical SMILES of 3-Fluoro-5-(trifluoromethyl)benzylamine is C1=C(C=C(C=C1C(F)(F)F)F)CN.

How many hydrogen bond donor counts does 3-Fluoro-5-(trifluoromethyl)benzylamine have?

3-Fluoro-5-(trifluoromethyl)benzylamine has 1 hydrogen bond donor count.

What is the XLogP3-AA value of 3-Fluoro-5-(trifluoromethyl)benzylamine?

The XLogP3-AA value of 3-Fluoro-5-(trifluoromethyl)benzylamine is 1.8.

How many hydrogen bond acceptor counts does 3-Fluoro-5-(trifluoromethyl)benzylamine have?

3-Fluoro-5-(trifluoromethyl)benzylamine has 5 hydrogen bond acceptor counts.

What is the topological polar surface area of 3-Fluoro-5-(trifluoromethyl)benzylamine?

The topological polar surface area of 3-Fluoro-5-(trifluoromethyl)benzylamine is 26².

Does 3-Fluoro-5-(trifluoromethyl)benzylamine have any defined atom stereocenter counts?

No, 3-Fluoro-5-(trifluoromethyl)benzylamine has 0 defined atom stereocenter counts.

Is 3-Fluoro-5-(trifluoromethyl)benzylamine compound canonicalized?

Yes, 3-Fluoro-5-(trifluoromethyl)benzylamine compound is canonicalized.