1-(2-fluoro-6-methylsulfanylphenyl)cyclopropane-1-carboxylic acid

C11H11FO2S — CID 117325508

IUPAC1-(2-fluoro-6-methylsulfanylphenyl)cyclopropane-1-carboxylic acid
SMILESCSc1cccc(F)c1C1(C(=O)O)CC1
InChIInChI=1S/C11H11FO2S/c1-15-8-4-2-3-7(12)9(8)11(5-6-11)10(13)14/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyWKLAKILDTRDFOZ-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.66
Rot. Bonds3

About 1-(2-fluoro-6-methylsulfanylphenyl)cyclopropane-1-carboxylic acid

1-(2-fluoro-6-methylsulfanylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117325508) has the molecular formula C11H11FO2S and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-(2-fluoro-6-methylsulfanylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoro-6-methylsulfanylphenyl)cyclopropane-1-carboxylic acid
PubChem CID117325508
Molecular FormulaC11H11FO2S
Molecular Weight226.27 g/mol
Exact Mass226.05
IUPAC Name1-(2-fluoro-6-methylsulfanylphenyl)cyclopropane-1-carboxylic acid
SMILESCSc1cccc(F)c1C1(C(=O)O)CC1
InChIInChI=1S/C11H11FO2S/c1-15-8-4-2-3-7(12)9(8)11(5-6-11)10(13)14/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyWKLAKILDTRDFOZ-UHFFFAOYSA-N
XLogP2.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-3-methylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 117399162
1-(2,6-difluoro-3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
CID 117352864
1-[1-(2,6-difluorophenyl)cyclopropyl]ethanone
CID 83808662
1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117337093
1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine
CID 117324173
1-(3-fluoro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117490420
1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid
CID 83412613
1-(2,3,6-trifluorophenyl)cyclopentane-1-carboxylic acid
CID 83412127
1-(3-fluoro-4-methylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 84800517
1-(2,6-difluoro-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393652
1-[1-(2-fluoro-6-methoxyphenyl)cyclopropyl]ethanone
CID 83808664
1-[2-(difluoromethyl)-3-fluorophenyl]cyclobutane-1-carboxylic acid
CID 117361937

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methylsulfanylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-fluoro-6-methylsulfanylphenyl)cyclopropane-1-carboxylic acid (CID 117325508) is 1-(2-fluoro-6-methylsulfanylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-fluoro-6-methylsulfanylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-fluoro-6-methylsulfanylphenyl)cyclopropane-1-carboxylic acid is CSc1cccc(F)c1C1(C(=O)O)CC1.
What is the InChIKey of 1-(2-fluoro-6-methylsulfanylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is WKLAKILDTRDFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2S/c1-15-8-4-2-3-7(12)9(8)11(5-6-11)10(13)14/h2-4H,5-6H2,1H3,(H,13,14).
What are the key properties of 1-(2-fluoro-6-methylsulfanylphenyl)cyclopropane-1-carboxylic acid?
1-(2-fluoro-6-methylsulfanylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 226.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methylsulfanylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117325508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).