3-(3,4-difluorophenyl)-2-fluoropropanoic acid

C9H7F3O2 — CID 81357959

IUPAC3-(3,4-difluorophenyl)-2-fluoropropanoic acid
SMILESO=C(O)C(F)Cc1ccc(F)c(F)c1
InChIInChI=1S/C9H7F3O2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4H2,(H,13,14)
InChIKeyINZIPJGMKPMIAF-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.93
Rot. Bonds3

About 3-(3,4-difluorophenyl)-2-fluoropropanoic acid

3-(3,4-difluorophenyl)-2-fluoropropanoic acid (PubChem CID 81357959) has the molecular formula C9H7F3O2 and a molecular weight of 204.15 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-2-fluoropropanoic acid.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-2-fluoropropanoic acid
PubChem CID81357959
Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Name3-(3,4-difluorophenyl)-2-fluoropropanoic acid
SMILESO=C(O)C(F)Cc1ccc(F)c(F)c1
InChIInChI=1S/C9H7F3O2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4H2,(H,13,14)
InChIKeyINZIPJGMKPMIAF-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chloro-3-fluorophenyl)-2-fluoropropanoic acid
CID 130820068
[1-carboxy-2-(3,4-difluorophenyl)ethyl]azanium
CID 20769065
4-(3,4-difluorophenyl)-3-methylbutanoic acid
CID 82935908
3-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid
CID 138583979
3-(4-chloro-2-fluorophenyl)-2-fluoropropanoic acid
CID 131151024
(2S)-3-amino-4-(3,4-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 56923733
(2S)-2-[(3,4-difluorophenyl)methylamino]propanoic acid
CID 83195012
2-[(4-fluoro-3-methylphenyl)methyl]propanedioic acid
CID 170895434
3-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoropropanoic acid
CID 81357256
3-[(3,4-difluorophenyl)methyl]-5-hydroxypentan-2-one
CID 103343871
(2R)-3-(3,4-difluorophenyl)-N-methyl-2-(methylamino)propanamide
CID 10561294
3-(4-cyclopropylphenyl)-2-fluoropropanoic acid
CID 81358375

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-2-fluoropropanoic acid?
The IUPAC name of 3-(3,4-difluorophenyl)-2-fluoropropanoic acid (CID 81357959) is 3-(3,4-difluorophenyl)-2-fluoropropanoic acid.
What is the SMILES notation for 3-(3,4-difluorophenyl)-2-fluoropropanoic acid?
The canonical SMILES for 3-(3,4-difluorophenyl)-2-fluoropropanoic acid is O=C(O)C(F)Cc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-2-fluoropropanoic acid?
The InChIKey is INZIPJGMKPMIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4H2,(H,13,14).
What are the key properties of 3-(3,4-difluorophenyl)-2-fluoropropanoic acid?
3-(3,4-difluorophenyl)-2-fluoropropanoic acid has a molecular weight of 204.15 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-2-fluoropropanoic acid is sourced from PubChem (CID 81357959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).