3-(2-fluoroethyl)cyclopentane-1-carboxylic acid

C8H13FO2 — CID 84716733

IUPAC3-(2-fluoroethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(CCF)C1
InChIInChI=1S/C8H13FO2/c9-4-3-6-1-2-7(5-6)8(10)11/h6-7H,1-5H2,(H,10,11)
InChIKeyZHPITIBQVUJBAQ-UHFFFAOYSA-N
MW160.19 g/mol
LogP1.85
Rot. Bonds3

About 3-(2-fluoroethyl)cyclopentane-1-carboxylic acid

3-(2-fluoroethyl)cyclopentane-1-carboxylic acid (PubChem CID 84716733) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is 3-(2-fluoroethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluoroethyl)cyclopentane-1-carboxylic acid
PubChem CID84716733
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name3-(2-fluoroethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(CCF)C1
InChIInChI=1S/C8H13FO2/c9-4-3-6-1-2-7(5-6)8(10)11/h6-7H,1-5H2,(H,10,11)
InChIKeyZHPITIBQVUJBAQ-UHFFFAOYSA-N
XLogP1.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid
CID 146210075
trans-(1R,3R)-3-(4,4-dimethylpentyl)cyclopentane-1-carboxylic acid
CID 71036933
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid
CID 126845693
3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid
CID 83820985
3-(diethylaminomethyl)cyclopentane-1-carboxylic acid
CID 83819168
cis-(1R,3S)-3-[(2-cyclopropylacetyl)amino]cyclopentane-1-carboxylic acid
CID 106320836
trans-(1R,3R)-3-(aminomethyl)cyclohexane-1-carboxylic acid
CID 18632959
4-(3-aminopropyl)cyclohexane-1-carboxylic acid
CID 126844543
(3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid
CID 172529377
3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032847

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2-fluoroethyl)cyclopentane-1-carboxylic acid (CID 84716733) is 3-(2-fluoroethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2-fluoroethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2-fluoroethyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(CCF)C1.
What is the InChIKey of 3-(2-fluoroethyl)cyclopentane-1-carboxylic acid?
The InChIKey is ZHPITIBQVUJBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c9-4-3-6-1-2-7(5-6)8(10)11/h6-7H,1-5H2,(H,10,11).
What are the key properties of 3-(2-fluoroethyl)cyclopentane-1-carboxylic acid?
3-(2-fluoroethyl)cyclopentane-1-carboxylic acid has a molecular weight of 160.19 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 84716733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).