2,3-difluoro-2-(3-fluorophenyl)propanoic acid

C9H7F3O2 — CID 175420494

IUPAC2,3-difluoro-2-(3-fluorophenyl)propanoic acid
SMILESO=C(O)C(F)(CF)c1cccc(F)c1
InChIInChI=1S/C9H7F3O2/c10-5-9(12,8(13)14)6-2-1-3-7(11)4-6/h1-4H,5H2,(H,13,14)
InChIKeyZCSJRLURMCTBRW-UHFFFAOYSA-N
MW204.15 g/mol
LogP2.04
Rot. Bonds3

About 2,3-difluoro-2-(3-fluorophenyl)propanoic acid

2,3-difluoro-2-(3-fluorophenyl)propanoic acid (PubChem CID 175420494) has the molecular formula C9H7F3O2 and a molecular weight of 204.15 g/mol. Its IUPAC name is 2,3-difluoro-2-(3-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2,3-difluoro-2-(3-fluorophenyl)propanoic acid
PubChem CID175420494
Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Name2,3-difluoro-2-(3-fluorophenyl)propanoic acid
SMILESO=C(O)C(F)(CF)c1cccc(F)c1
InChIInChI=1S/C9H7F3O2/c10-5-9(12,8(13)14)6-2-1-3-7(11)4-6/h1-4H,5H2,(H,13,14)
InChIKeyZCSJRLURMCTBRW-UHFFFAOYSA-N
XLogP2.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-3-(3-fluorophenyl)propanoic acid
CID 84672023
(2S)-2-amino-3,3,3-trifluoro-2-(3-fluorophenyl)propanoic acid
CID 95298191
2-bromo-2-(3-fluorophenyl)propanoic acid
CID 67757500
2-(3-fluorophenyl)-2-phenylpropanoic acid
CID 18931684
2-(3-fluorophenyl)-2-phenylbutanedioic acid
CID 152760459
4,4-difluoro-4-(3-fluorophenyl)butan-2-one
CID 105454124
2-amino-2-(3-fluorophenyl)-2-phenylacetic acid;hydrochloride
CID 174636753
1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene
CID 70952663
2-(aminomethyl)-2-(3-fluorophenyl)-5,5-dimethylhexanoic acid
CID 106490409
(2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid
CID 93279972
2-cyclopropyl-2-(3-fluorophenyl)propanoic acid
CID 83834060
2-(aminomethyl)-3-ethoxy-2-(3-fluorophenyl)propanoic acid
CID 106490477

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-2-(3-fluorophenyl)propanoic acid?
The IUPAC name of 2,3-difluoro-2-(3-fluorophenyl)propanoic acid (CID 175420494) is 2,3-difluoro-2-(3-fluorophenyl)propanoic acid.
What is the SMILES notation for 2,3-difluoro-2-(3-fluorophenyl)propanoic acid?
The canonical SMILES for 2,3-difluoro-2-(3-fluorophenyl)propanoic acid is O=C(O)C(F)(CF)c1cccc(F)c1.
What is the InChIKey of 2,3-difluoro-2-(3-fluorophenyl)propanoic acid?
The InChIKey is ZCSJRLURMCTBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O2/c10-5-9(12,8(13)14)6-2-1-3-7(11)4-6/h1-4H,5H2,(H,13,14).
What are the key properties of 2,3-difluoro-2-(3-fluorophenyl)propanoic acid?
2,3-difluoro-2-(3-fluorophenyl)propanoic acid has a molecular weight of 204.15 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-2-(3-fluorophenyl)propanoic acid is sourced from PubChem (CID 175420494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).