1-(4-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid

C12H13FO2S — CID 61343846

IUPAC1-(4-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Sc2ccc(F)cc2)CCCC1
InChIInChI=1S/C12H13FO2S/c13-9-3-5-10(6-4-9)16-12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,14,15)
InChIKeyXUVXAEQVUFMRQH-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.32
Rot. Bonds3

About 1-(4-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid

1-(4-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid (PubChem CID 61343846) has the molecular formula C12H13FO2S and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid
PubChem CID61343846
Molecular FormulaC12H13FO2S
Molecular Weight240.30 g/mol
Exact Mass240.06
IUPAC Name1-(4-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Sc2ccc(F)cc2)CCCC1
InChIInChI=1S/C12H13FO2S/c13-9-3-5-10(6-4-9)16-12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,14,15)
InChIKeyXUVXAEQVUFMRQH-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)sulfanylcyclopentane-1-carboxylic acid
CID 61344749
3-(4-fluorophenyl)sulfanyloxetane-3-carboxylic acid
CID 117035166
1-(3-fluorophenyl)sulfanylcyclohexane-1-carboxylic acid
CID 66070175
1-(4-cyanophenyl)sulfanylcyclopentane-1-carboxylic acid
CID 165375548
3,3-diethyl-1-(4-fluorophenyl)sulfanylcyclobutane-1-carboxylic acid
CID 66070736
1-(4-ethoxyphenyl)sulfanylcyclobutane-1-carboxylic acid
CID 116855429
4-(3-fluorophenyl)sulfanylpiperidine-4-carboxylic acid
CID 66073076
2-phenylsulfanylspiro[3.5]nonane-2-carboxylic acid
CID 65142377
1-(5-fluoro-2-methoxyphenyl)sulfanylcyclobutane-1-carboxylic acid
CID 116855414
1-(4-fluorophenyl)sulfanylcyclopropan-1-amine
CID 117035838
1-(2-methylphenyl)sulfanylcycloheptane-1-carboxylic acid
CID 61344926
1-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carboxylic acid
CID 82236632

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid (CID 61343846) is 1-(4-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid is O=C(O)C1(Sc2ccc(F)cc2)CCCC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid?
The InChIKey is XUVXAEQVUFMRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2S/c13-9-3-5-10(6-4-9)16-12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,14,15).
What are the key properties of 1-(4-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid?
1-(4-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 61343846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).