1-[fluoro(phenyl)methyl]cyclopentane-1-carboxylic acid

C13H15FO2 — CID 105479066

IUPAC1-[fluoro(phenyl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C(F)c2ccccc2)CCCC1
InChIInChI=1S/C13H15FO2/c14-11(10-6-2-1-3-7-10)13(12(15)16)8-4-5-9-13/h1-3,6-7,11H,4-5,8-9H2,(H,15,16)
InChIKeyHQENXMWGZYVRSI-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.34
Rot. Bonds3

About 1-[fluoro(phenyl)methyl]cyclopentane-1-carboxylic acid

1-[fluoro(phenyl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 105479066) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-[fluoro(phenyl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[fluoro(phenyl)methyl]cyclopentane-1-carboxylic acid
PubChem CID105479066
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name1-[fluoro(phenyl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C(F)c2ccccc2)CCCC1
InChIInChI=1S/C13H15FO2/c14-11(10-6-2-1-3-7-10)13(12(15)16)8-4-5-9-13/h1-3,6-7,11H,4-5,8-9H2,(H,15,16)
InChIKeyHQENXMWGZYVRSI-UHFFFAOYSA-N
XLogP3.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[fluoro(phenyl)methyl]cyclohexan-1-amine
CID 105460950
1-[hydroxy-(2-methylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 105494496
2-(difluoromethyl)-1,3-dihydroindene-2-carboxylic acid
CID 103512867
1-[amino(phenylmethoxy)methyl]cyclopentane-1-carboxylic acid
CID 69222417
3-amino-2-methyl-N-(1-methylcyclopentyl)-3-phenylpropanamide
CID 80552093
1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186922
3-[3-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)-2-phenylpropylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 90978245
1-(1-phenylethylamino)cyclopropane-1-carboxylic acid
CID 45089698
(2S)-2-fluoro-2-phenylacetic acid
CID 7003723
1-[(1S)-2-amino-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxylic acid
CID 125452234
1-[(4-fluorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958929
3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 78952958

Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(phenyl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[fluoro(phenyl)methyl]cyclopentane-1-carboxylic acid (CID 105479066) is 1-[fluoro(phenyl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[fluoro(phenyl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[fluoro(phenyl)methyl]cyclopentane-1-carboxylic acid is O=C(O)C1(C(F)c2ccccc2)CCCC1.
What is the InChIKey of 1-[fluoro(phenyl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is HQENXMWGZYVRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c14-11(10-6-2-1-3-7-10)13(12(15)16)8-4-5-9-13/h1-3,6-7,11H,4-5,8-9H2,(H,15,16).
What are the key properties of 1-[fluoro(phenyl)methyl]cyclopentane-1-carboxylic acid?
1-[fluoro(phenyl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 222.26 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(phenyl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 105479066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).