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

C11H16F3NS — CID 116627804

IUPAC3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(CCSC(F)(F)F)C1
InChIInChI=1S/C11H16F3NS/c1-2-9-3-4-10(7-9,8-15)5-6-16-11(12,13)14/h9H,2-7H2,1H3
InChIKeyGNAVNPWEZWDBPK-UHFFFAOYSA-N
MW251.32 g/mol
LogP4.35
Rot. Bonds4

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

3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile (PubChem CID 116627804) has the molecular formula C11H16F3NS and a molecular weight of 251.32 g/mol. Its IUPAC name is 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile
PubChem CID116627804
Molecular FormulaC11H16F3NS
Molecular Weight251.32 g/mol
Exact Mass251.10
IUPAC Name3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(CCSC(F)(F)F)C1
InChIInChI=1S/C11H16F3NS/c1-2-9-3-4-10(7-9,8-15)5-6-16-11(12,13)14/h9H,2-7H2,1H3
InChIKeyGNAVNPWEZWDBPK-UHFFFAOYSA-N
XLogP4.35
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,4-Dimethylcyclohexyl)-2-(3,3,3-trifluoropropylsulfanyl)acetonitrile
CID 59378264
(3aS,6aR)-5,5-difluoro-2-[(trimethyl-lambda4-sulfanyl)methyl]-1,3,3a,4,6,6a-hexahydropentalene-2-carbonitrile
CID 138488621
4-Propyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carbonitrile
CID 113545408
3-Ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carbonitrile
CID 113545409
1-[2-(Trifluoromethylsulfanyl)ethyl]cyclooctane-1-carbonitrile
CID 113545411
1-[2-(Trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile
CID 116627786
3-Methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carbonitrile
CID 116627790
4-Methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carbonitrile
CID 116627791
4-Ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carbonitrile
CID 116627798
4,4-Dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carbonitrile
CID 116627799
1-[2-(Trifluoromethylsulfanyl)ethyl]cycloheptane-1-carbonitrile
CID 116627800
4-Propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carbonitrile
CID 116627801

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile (CID 116627804) is 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile is CCC1CCC(C#N)(CCSC(F)(F)F)C1.
What is the InChIKey of 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is GNAVNPWEZWDBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NS/c1-2-9-3-4-10(7-9,8-15)5-6-16-11(12,13)14/h9H,2-7H2,1H3.
What are the key properties of 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile?
3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 251.32 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 116627804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).