2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid

C14H17FO2 — CID 68973973

IUPAC2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid
SMILESCC(C(=O)O)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C14H17FO2/c1-10(13(16)17)14(7-2-3-8-14)11-5-4-6-12(15)9-11/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyXBNAMGKCCHNZMM-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.36
Rot. Bonds3

About 2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid

2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid (PubChem CID 68973973) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid
PubChem CID68973973
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid
SMILESCC(C(=O)O)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C14H17FO2/c1-10(13(16)17)14(7-2-3-8-14)11-5-4-6-12(15)9-11/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyXBNAMGKCCHNZMM-UHFFFAOYSA-N
XLogP3.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid?
The IUPAC name of 2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid (CID 68973973) is 2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid.
What is the SMILES notation for 2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid?
The canonical SMILES for 2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid is CC(C(=O)O)C1(c2cccc(F)c2)CCCC1.
What is the InChIKey of 2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid?
The InChIKey is XBNAMGKCCHNZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-10(13(16)17)14(7-2-3-8-14)11-5-4-6-12(15)9-11/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,17).
What are the key properties of 2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid?
2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid has a molecular weight of 236.29 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid is sourced from PubChem (CID 68973973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).