2-[3-(difluoromethyl)phenyl]propanoic acid

C10H10F2O2 — CID 84669259

IUPAC2-[3-(difluoromethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1cccc(C(F)F)c1
InChIInChI=1S/C10H10F2O2/c1-6(10(13)14)7-3-2-4-8(5-7)9(11)12/h2-6,9H,1H3,(H,13,14)
InChIKeyBZCBMQDIAAAGGY-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.81
Rot. Bonds3

About 2-[3-(difluoromethyl)phenyl]propanoic acid

2-[3-(difluoromethyl)phenyl]propanoic acid (PubChem CID 84669259) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-(difluoromethyl)phenyl]propanoic acid
PubChem CID84669259
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name2-[3-(difluoromethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1cccc(C(F)F)c1
InChIInChI=1S/C10H10F2O2/c1-6(10(13)14)7-3-2-4-8(5-7)9(11)12/h2-6,9H,1H3,(H,13,14)
InChIKeyBZCBMQDIAAAGGY-UHFFFAOYSA-N
XLogP2.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-[(S)-hydroxy(phenyl)methyl]phenyl]propanoic acid
CID 67709050
2-[3-(2,2-difluoroethyl)phenyl]propanoic acid
CID 84680241
3-[(1S)-1-carboxyethyl]benzoic acid
CID 71587871
2-[3-(3-hydroxyphenyl)phenyl]propanoic acid
CID 176514338
2-[3-(3,3-difluoropropyl)phenyl]propanoic acid
CID 84691838
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
2-(3-propan-2-yloxyphenyl)propanoic acid
CID 67024169
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712
(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
CID 157056025
CID 157056025

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)phenyl]propanoic acid?
The IUPAC name of 2-[3-(difluoromethyl)phenyl]propanoic acid (CID 84669259) is 2-[3-(difluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[3-(difluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 2-[3-(difluoromethyl)phenyl]propanoic acid is CC(C(=O)O)c1cccc(C(F)F)c1.
What is the InChIKey of 2-[3-(difluoromethyl)phenyl]propanoic acid?
The InChIKey is BZCBMQDIAAAGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-6(10(13)14)7-3-2-4-8(5-7)9(11)12/h2-6,9H,1H3,(H,13,14).
What are the key properties of 2-[3-(difluoromethyl)phenyl]propanoic acid?
2-[3-(difluoromethyl)phenyl]propanoic acid has a molecular weight of 200.18 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 84669259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).