2,2,3,3,4,4,4-Heptafluoro-1-butanol

• CAS: 375-01-9
• Catalog Number: ACM375019
• Category: Alkyl Fluorinated Building Blocks
• Molecular Weight: 200.05g/mol
• Molecular Formula: C4H3F7O
• IUPAC Name: 2,2,3,3,4,4,4-heptafluorobutan-1-ol
• Canonical SMILES: C(C(C(C(F)(F)F)(F)F)(F)F)O
• InChI: InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2
• InChI Key: WXJFKAZDSQLPBX-UHFFFAOYSA-N
• Boiling Point: 95.0 °C
• Complexity: 159
• Covalently-Bonded Unit Count: 1
• EC Number: 206-782-1
• Exact Mass: 200.007212g/mol
• Formal Charge: 0
• Hazard Statements: H301-H315-H318-H335-H412
• H-Bond Acceptor: 8
• H-Bond Donor: 1
• Heavy Atom Count: 12
• LogP: 1.94 (LogP)
• Monoisotopic Mass: 200.007212g/mol
• NSC Number: 60528
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 2
• Symbol: GHS05
• UNII: 5R7VC6NQE7
• Vapor Pressure: 33.06 mmHg
• XLogP3: 1.9

Custom Q&A

What is the molecular formula of 2,2,3,3,4,4,4-Heptafluoro-1-butanol?

The molecular formula of 2,2,3,3,4,4,4-Heptafluoro-1-butanol is C3F7CH2OH / C4H3F7O.

When was the PubChem CID 9776 created and last modified?

The PubChem CID 9776 was created on 2005-03-26 and last modified on 2023-12-23.

What is the IUPAC Name of 2,2,3,3,4,4,4-Heptafluoro-1-butanol?

The IUPAC Name of 2,2,3,3,4,4,4-Heptafluoro-1-butanol is 2,2,3,3,4,4,4-heptafluorobutan-1-ol.

What is the InChIKey of 2,2,3,3,4,4,4-Heptafluoro-1-butanol?

The InChIKey of 2,2,3,3,4,4,4-Heptafluoro-1-butanol is WXJFKAZDSQLPBX-UHFFFAOYSA-N.

What is the Canonical SMILES representation of 2,2,3,3,4,4,4-Heptafluoro-1-butanol?

The Canonical SMILES representation of 2,2,3,3,4,4,4-Heptafluoro-1-butanol is C(C(C(C(F)(F)F)(F)F)(F)F)O.

What is the CAS number of 2,2,3,3,4,4,4-Heptafluoro-1-butanol?

The CAS number of 2,2,3,3,4,4,4-Heptafluoro-1-butanol is 375-01-9.

What is the molecular weight of 2,2,3,3,4,4,4-Heptafluoro-1-butanol?

The molecular weight of 2,2,3,3,4,4,4-Heptafluoro-1-butanol is 200.05 g/mol.

How many Hydrogen Bond Acceptor Count does 2,2,3,3,4,4,4-Heptafluoro-1-butanol have?

2,2,3,3,4,4,4-Heptafluoro-1-butanol has 8 Hydrogen Bond Acceptor Count.

What is the Topological Polar Surface Area of 2,2,3,3,4,4,4-Heptafluoro-1-butanol?

The Topological Polar Surface Area of 2,2,3,3,4,4,4-Heptafluoro-1-butanol is 20.2Ų.

How many Rotatable Bond Count does 2,2,3,3,4,4,4-Heptafluoro-1-butanol have?

2,2,3,3,4,4,4-Heptafluoro-1-butanol has 2 Rotatable Bond Count.