1-[(2-fluorophenyl)sulfanylmethyl]cyclopropane-1-carbonitrile

C11H10FNS — CID 164646003

IUPAC1-[(2-fluorophenyl)sulfanylmethyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CSc2ccccc2F)CC1
InChIInChI=1S/C11H10FNS/c12-9-3-1-2-4-10(9)14-8-11(7-13)5-6-11/h1-4H,5-6,8H2
InChIKeyVPWJYCFKWCHASQ-UHFFFAOYSA-N
MW207.27 g/mol
LogP3.22
Rot. Bonds3

About 1-[(2-fluorophenyl)sulfanylmethyl]cyclopropane-1-carbonitrile

1-[(2-fluorophenyl)sulfanylmethyl]cyclopropane-1-carbonitrile (PubChem CID 164646003) has the molecular formula C11H10FNS and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)sulfanylmethyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2-fluorophenyl)sulfanylmethyl]cyclopropane-1-carbonitrile
PubChem CID164646003
Molecular FormulaC11H10FNS
Molecular Weight207.27 g/mol
Exact Mass207.05
IUPAC Name1-[(2-fluorophenyl)sulfanylmethyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CSc2ccccc2F)CC1
InChIInChI=1S/C11H10FNS/c12-9-3-1-2-4-10(9)14-8-11(7-13)5-6-11/h1-4H,5-6,8H2
InChIKeyVPWJYCFKWCHASQ-UHFFFAOYSA-N
XLogP3.22
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-amino-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile
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1-[2-(2,3-difluorophenoxy)ethyl]cyclopropane-1-carbonitrile
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1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropane-1-carboxylic acid
CID 84800527
1-(cyclopropylamino)-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile
CID 79577380
[1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropyl]methanamine
CID 84790406
2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanenitrile
CID 63908450
1-[(2,3-difluorophenyl)methyl]cycloheptane-1-carbonitrile
CID 65390903
4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine
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1-[(2-chloro-6-fluorophenyl)methyl]cyclopentane-1-carbonitrile
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4-[(2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)sulfanylmethyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(2-fluorophenyl)sulfanylmethyl]cyclopropane-1-carbonitrile (CID 164646003) is 1-[(2-fluorophenyl)sulfanylmethyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(2-fluorophenyl)sulfanylmethyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(2-fluorophenyl)sulfanylmethyl]cyclopropane-1-carbonitrile is N#CC1(CSc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)sulfanylmethyl]cyclopropane-1-carbonitrile?
The InChIKey is VPWJYCFKWCHASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNS/c12-9-3-1-2-4-10(9)14-8-11(7-13)5-6-11/h1-4H,5-6,8H2.
What are the key properties of 1-[(2-fluorophenyl)sulfanylmethyl]cyclopropane-1-carbonitrile?
1-[(2-fluorophenyl)sulfanylmethyl]cyclopropane-1-carbonitrile has a molecular weight of 207.27 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)sulfanylmethyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 164646003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).