1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid

C13H15FO2S — CID 117389251

IUPAC1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
SMILESCSc1ccc(F)cc1C1(C(=O)O)CCCC1
InChIInChI=1S/C13H15FO2S/c1-17-11-5-4-9(14)8-10(11)13(12(15)16)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyVXPYXQHDJFFKRP-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.44
Rot. Bonds3

About 1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid

1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117389251) has the molecular formula C13H15FO2S and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
PubChem CID117389251
Molecular FormulaC13H15FO2S
Molecular Weight254.33 g/mol
Exact Mass254.08
IUPAC Name1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
SMILESCSc1ccc(F)cc1C1(C(=O)O)CCCC1
InChIInChI=1S/C13H15FO2S/c1-17-11-5-4-9(14)8-10(11)13(12(15)16)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyVXPYXQHDJFFKRP-UHFFFAOYSA-N
XLogP3.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117344962
1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid
CID 82622172
1-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117420301
1-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)cyclohexane-1-carboxylic acid
CID 117480935
1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid
CID 106702511
1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid
CID 117434876
1-(3-fluoro-4-methylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 84800517
1-(4-fluoro-2-formylphenyl)cyclohexane-1-carboxylic acid
CID 117378661
1-(3-hydroxy-4-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117384299
1-(3-chloro-4-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117430133
1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid
CID 117472089
1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone
CID 117046742

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid (CID 117389251) is 1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid is CSc1ccc(F)cc1C1(C(=O)O)CCCC1.
What is the InChIKey of 1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is VXPYXQHDJFFKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2S/c1-17-11-5-4-9(14)8-10(11)13(12(15)16)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of 1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid?
1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117389251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).