3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid

C13H13FO3 — CID 53436277

IUPAC3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H13FO3/c14-11-5-3-8(4-6-11)12(15)9-1-2-10(7-9)13(16)17/h3-6,9-10H,1-2,7H2,(H,16,17)
InChIKeyHMFMKSSMIQQTAZ-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.51
Rot. Bonds3

About 3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid

3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid (PubChem CID 53436277) has the molecular formula C13H13FO3 and a molecular weight of 236.24 g/mol. Its IUPAC name is 3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid
PubChem CID53436277
Molecular FormulaC13H13FO3
Molecular Weight236.24 g/mol
Exact Mass236.08
IUPAC Name3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H13FO3/c14-11-5-3-8(4-6-11)12(15)9-1-2-10(7-9)13(16)17/h3-6,9-10H,1-2,7H2,(H,16,17)
InChIKeyHMFMKSSMIQQTAZ-UHFFFAOYSA-N
XLogP2.51
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorobenzoyl)cyclohexane-1-carboxylic acid
CID 53436276
carbonic acid;cyclopropyl-(4-fluorophenyl)methanone
CID 70591136
3-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid
CID 57168194
cis-(1R,2S)-2-(4-fluorobenzoyl)cyclohexane-1-carboxylic acid
CID 2725092
3-(4-butan-2-ylbenzoyl)cyclopentane-1-carboxylic acid
CID 103551694
4-(4-carboxycyclohexanecarbonyl)benzoic acid
CID 71338600
(4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone
CID 63491613
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
(3-fluorocyclopentyl)-phenylmethanone
CID 118362801
cis-(1S,3R)-3-(3,4-dimethylbenzoyl)cyclohexane-1-carboxylic acid
CID 53471360
cis-(1R,3S)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120678355
cis-(1S,3R)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120676154

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid (CID 53436277) is 3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid?
The InChIKey is HMFMKSSMIQQTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO3/c14-11-5-3-8(4-6-11)12(15)9-1-2-10(7-9)13(16)17/h3-6,9-10H,1-2,7H2,(H,16,17).
What are the key properties of 3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid?
3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid has a molecular weight of 236.24 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 53436277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).