3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile

C10H14F3NS — CID 116627803

IUPAC3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(CCSC(F)(F)F)C1
InChIInChI=1S/C10H14F3NS/c1-8-2-3-9(6-8,7-14)4-5-15-10(11,12)13/h8H,2-6H2,1H3
InChIKeyOTTFICUORJXQLH-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.96
Rot. Bonds3

About 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile

3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile (PubChem CID 116627803) has the molecular formula C10H14F3NS and a molecular weight of 237.29 g/mol. Its IUPAC name is 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile
PubChem CID116627803
Molecular FormulaC10H14F3NS
Molecular Weight237.29 g/mol
Exact Mass237.08
IUPAC Name3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(CCSC(F)(F)F)C1
InChIInChI=1S/C10H14F3NS/c1-8-2-3-9(6-8,7-14)4-5-15-10(11,12)13/h8H,2-6H2,1H3
InChIKeyOTTFICUORJXQLH-UHFFFAOYSA-N
XLogP3.96
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutane-1-carbonitrile
CID 116627789
[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine
CID 116627826
1-hexyl-3-methylcyclopentane-1-carbonitrile
CID 65403275
3-methyl-1-(3-methylbut-3-enyl)cyclopentane-1-carbonitrile
CID 130514235
1-butyl-3-methylcyclohexane-1-carbonitrile
CID 65377466
2-[2-(trifluoromethylsulfanyl)ethyl]bicyclo[2.2.1]heptane-2-carbonitrile
CID 116627814
3-methyl-1-(3-phenoxypropyl)cyclopentane-1-carbonitrile
CID 65401453
1-[(3-fluorophenyl)methyl]-3-methylcyclopentane-1-carbonitrile
CID 65401046
4-methyl-1-nonylcyclohexane-1-carbonitrile
CID 65378716
4-methyl-1-(2-methylpropyl)cyclohexane-1-carbonitrile
CID 65376426
4-methyl-1-(4-methylpentyl)cyclohexane-1-carbonitrile
CID 83168273
3-methyl-1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile
CID 65401660

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile (CID 116627803) is 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile is CC1CCC(C#N)(CCSC(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is OTTFICUORJXQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NS/c1-8-2-3-9(6-8,7-14)4-5-15-10(11,12)13/h8H,2-6H2,1H3.
What are the key properties of 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile?
3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 237.29 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 116627803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).