3-cyclopentyl-2-(3,4-difluorophenyl)propanoic acid

C14H16F2O2 — CID 18626637

IUPAC3-cyclopentyl-2-(3,4-difluorophenyl)propanoic acid
SMILESO=C(O)C(CC1CCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2O2/c15-12-6-5-10(8-13(12)16)11(14(17)18)7-9-3-1-2-4-9/h5-6,8-9,11H,1-4,7H2,(H,17,18)
InChIKeyMUSFLQNDHLOJMR-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.71
Rot. Bonds4

About 3-cyclopentyl-2-(3,4-difluorophenyl)propanoic acid

3-cyclopentyl-2-(3,4-difluorophenyl)propanoic acid (PubChem CID 18626637) has the molecular formula C14H16F2O2 and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-cyclopentyl-2-(3,4-difluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopentyl-2-(3,4-difluorophenyl)propanoic acid
PubChem CID18626637
Molecular FormulaC14H16F2O2
Molecular Weight254.28 g/mol
Exact Mass254.11
IUPAC Name3-cyclopentyl-2-(3,4-difluorophenyl)propanoic acid
SMILESO=C(O)C(CC1CCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2O2/c15-12-6-5-10(8-13(12)16)11(14(17)18)7-9-3-1-2-4-9/h5-6,8-9,11H,1-4,7H2,(H,17,18)
InChIKeyMUSFLQNDHLOJMR-UHFFFAOYSA-N
XLogP3.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821
4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene
CID 63439985
(2R)-2-(3-chloro-4-cyclopentylsulfanylphenyl)-3-cyclopentylpropanoic acid
CID 67188777
3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid
CID 22315267
3-cyclohexyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]propanoic acid
CID 22315128
(2R)-3-cyclopentyl-2-[4-(sulfinomethyl)phenyl]propanoic acid
CID 174406760
sodium;2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoic acid;hydride
CID 173032720
2-(cyclopentylamino)-2-(3,4-difluorophenyl)acetic acid
CID 54894138
3-cyclobutyl-3-(3,4-difluorophenyl)propanoic acid
CID 82292705
(R)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184618
(S)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184621
2,2-bis(3,4-difluorophenyl)acetic acid
CID 20677452

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(3,4-difluorophenyl)propanoic acid?
The IUPAC name of 3-cyclopentyl-2-(3,4-difluorophenyl)propanoic acid (CID 18626637) is 3-cyclopentyl-2-(3,4-difluorophenyl)propanoic acid.
What is the SMILES notation for 3-cyclopentyl-2-(3,4-difluorophenyl)propanoic acid?
The canonical SMILES for 3-cyclopentyl-2-(3,4-difluorophenyl)propanoic acid is O=C(O)C(CC1CCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3-cyclopentyl-2-(3,4-difluorophenyl)propanoic acid?
The InChIKey is MUSFLQNDHLOJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O2/c15-12-6-5-10(8-13(12)16)11(14(17)18)7-9-3-1-2-4-9/h5-6,8-9,11H,1-4,7H2,(H,17,18).
What are the key properties of 3-cyclopentyl-2-(3,4-difluorophenyl)propanoic acid?
3-cyclopentyl-2-(3,4-difluorophenyl)propanoic acid has a molecular weight of 254.28 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(3,4-difluorophenyl)propanoic acid is sourced from PubChem (CID 18626637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).