1-(2-fluorophenyl)sulfanylcyclobutane-1-carbonitrile

C11H10FNS — CID 66051682

IUPAC1-(2-fluorophenyl)sulfanylcyclobutane-1-carbonitrile
SMILESN#CC1(Sc2ccccc2F)CCC1
InChIInChI=1S/C11H10FNS/c12-9-4-1-2-5-10(9)14-11(8-13)6-3-7-11/h1-2,4-5H,3,6-7H2
InChIKeyAQOJUHIUHQEUMJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP3.36
Rot. Bonds2

About 1-(2-fluorophenyl)sulfanylcyclobutane-1-carbonitrile

1-(2-fluorophenyl)sulfanylcyclobutane-1-carbonitrile (PubChem CID 66051682) has the molecular formula C11H10FNS and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanylcyclobutane-1-carbonitrile
PubChem CID66051682
Molecular FormulaC11H10FNS
Molecular Weight207.27 g/mol
Exact Mass207.05
IUPAC Name1-(2-fluorophenyl)sulfanylcyclobutane-1-carbonitrile
SMILESN#CC1(Sc2ccccc2F)CCC1
InChIInChI=1S/C11H10FNS/c12-9-4-1-2-5-10(9)14-11(8-13)6-3-7-11/h1-2,4-5H,3,6-7H2
InChIKeyAQOJUHIUHQEUMJ-UHFFFAOYSA-N
XLogP3.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)sulfanylcyclohexane-1-carbonitrile
CID 66144223
1-[(2-fluorophenyl)sulfanylmethyl]cyclopropane-1-carbonitrile
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2-(2-bromophenyl)sulfanylspiro[3.3]heptane-2-carbonitrile
CID 66144808
4-(2-methylphenyl)sulfanyloxane-4-carbonitrile
CID 66092792
[2-(2-fluorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine
CID 66096162
1-(3,4-dimethylphenyl)sulfanylcyclobutane-1-carbonitrile
CID 117034910
1-amino-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile
CID 79578023
[2-(2-fluorophenyl)sulfanylspiro[3.6]decan-2-yl]methanamine
CID 66096585
1-(2-methylsulfanylphenyl)cyclopentane-1-carbonitrile
CID 110431275
1-(2,6-difluoroanilino)cyclobutane-1-carbonitrile
CID 67375006
1-[[2-(2-fluorophenyl)ethylamino]methyl]cyclobutane-1-carbonitrile
CID 115245457
3,3,3-trifluoro-2-(2-fluorophenyl)sulfanylpropanenitrile
CID 79559751

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanylcyclobutane-1-carbonitrile?
The IUPAC name of 1-(2-fluorophenyl)sulfanylcyclobutane-1-carbonitrile (CID 66051682) is 1-(2-fluorophenyl)sulfanylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-(2-fluorophenyl)sulfanylcyclobutane-1-carbonitrile is N#CC1(Sc2ccccc2F)CCC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfanylcyclobutane-1-carbonitrile?
The InChIKey is AQOJUHIUHQEUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNS/c12-9-4-1-2-5-10(9)14-11(8-13)6-3-7-11/h1-2,4-5H,3,6-7H2.
What are the key properties of 1-(2-fluorophenyl)sulfanylcyclobutane-1-carbonitrile?
1-(2-fluorophenyl)sulfanylcyclobutane-1-carbonitrile has a molecular weight of 207.27 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanylcyclobutane-1-carbonitrile is sourced from PubChem (CID 66051682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).