4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid

• CAS: 383-13-1
• Catalog Number: ACM383131
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 240.13
• Molecular Formula: C₈H₁₀FNO
• Synonyms: 4-(1,1,2,2,2-pentafluoroethyl)benzoic acid, 4-Pentafluoroethyl-benzoic acid, AC1Q734U, CHEMBL317558, SCHEMBL3241556, CTK7I7809, MolPort-016-634-502, WJKRCWXOKSNIAD-UHFFFAOYSA-N, AKOS015891001, MCULE-4700107815, EN300-54795, Z-1959, I01-8516, 383-13-1
• IUPAC Name: 4-(1,1,2,2,2-pentafluoroethyl)benzoic acid
• Canonical SMILES: C1=CC(=CC=C1C(=O)O)C(C(F)(F)F)(F)F
• InChI Key: WJKRCWXOKSNIAD-UHFFFAOYSA-N
• Exact Mass: 240.02100
• Hazard Statements: H314
• H-Bond Acceptor: 7
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid?

The molecular formula of 4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid is C9H5F5O2.

When was 4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid first created?

4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid was first created on December 5, 2007.

What is the molecular weight of 4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid?

The molecular weight of 4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid is 240.13 g/mol.

What is the InChIKey of 4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid?

The InChIKey of 4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid is WJKRCWXOKSNIAD-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does 4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid have?

4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid has 7 hydrogen bond acceptor counts.

What is the XLogP3 value of 4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid?

The XLogP3 value of 4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid is 3.8.

How many rotatable bond counts does 4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid have?

4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid has 2 rotatable bond counts.

Is 4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid considered as the canonicalized compound?

Yes, 4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid is considered as the canonicalized compound.

What is the topological polar surface area of 4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid?

The topological polar surface area of 4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid is 37.3 Ų.

How many defined bond stereocenter counts does 4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid have?

4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid has 0 defined bond stereocenter counts.