2-cyclopentyl-2-(3,3,3-trifluoropropylsulfanyl)acetonitrile

C10H14F3NS — CID 59378306

IUPAC2-cyclopentyl-2-(3,3,3-trifluoropropylsulfanyl)acetonitrile
SMILESN#CC(SCCC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H14F3NS/c11-10(12,13)5-6-15-9(7-14)8-3-1-2-4-8/h8-9H,1-6H2
InChIKeyZOTHWEIMZHAUFA-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.75
Rot. Bonds4

About 2-cyclopentyl-2-(3,3,3-trifluoropropylsulfanyl)acetonitrile

2-cyclopentyl-2-(3,3,3-trifluoropropylsulfanyl)acetonitrile (PubChem CID 59378306) has the molecular formula C10H14F3NS and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-cyclopentyl-2-(3,3,3-trifluoropropylsulfanyl)acetonitrile.

Molecular Properties

Compound Name2-cyclopentyl-2-(3,3,3-trifluoropropylsulfanyl)acetonitrile
PubChem CID59378306
Molecular FormulaC10H14F3NS
Molecular Weight237.29 g/mol
Exact Mass237.08
IUPAC Name2-cyclopentyl-2-(3,3,3-trifluoropropylsulfanyl)acetonitrile
SMILESN#CC(SCCC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H14F3NS/c11-10(12,13)5-6-15-9(7-14)8-3-1-2-4-8/h8-9H,1-6H2
InChIKeyZOTHWEIMZHAUFA-UHFFFAOYSA-N
XLogP3.75
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,6,6-Trifluoro-2-(thiolan-3-yl)hexanenitrile
CID 58478670
2-Cyclohexyl-2-(3,3,3-trifluoropropylsulfanyl)acetonitrile
CID 59378278
2-(Thiolan-3-yl)-2-(3,3,3-trifluoropropylsulfanyl)acetonitrile
CID 91022798
2-Fluoro-5-(trifluoromethyl)-2-(3,3,3-trifluoropropylsulfanyl)heptanenitrile
CID 145518288
5-(Trifluoromethyl)-2-(3,3,3-trifluoropropylsulfanyl)heptanenitrile
CID 145518295
6,6,6-Trifluoro-5-methyl-2-(3,3,3-trifluoropropylsulfanyl)hexanenitrile
CID 145518298
2-Methyl-5-(trifluoromethyl)-2-(3,3,3-trifluoropropylsulfanyl)heptanenitrile
CID 145518316
4-(3,3,3-Trifluoropropylsulfanylmethyl)cyclohexane-1-carbonitrile
CID 145543747
2-(Cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropanenitrile
CID 103371245
2-(Cyclopentylmethylsulfinylmethyl)-3,3,3-trifluoropropanenitrile
CID 103372493
2-(4,4-Difluorothian-3-yl)acetonitrile
CID 105530075
5,5-Difluorothiepane-4-carbonitrile
CID 105530216

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(3,3,3-trifluoropropylsulfanyl)acetonitrile?
The IUPAC name of 2-cyclopentyl-2-(3,3,3-trifluoropropylsulfanyl)acetonitrile (CID 59378306) is 2-cyclopentyl-2-(3,3,3-trifluoropropylsulfanyl)acetonitrile.
What is the SMILES notation for 2-cyclopentyl-2-(3,3,3-trifluoropropylsulfanyl)acetonitrile?
The canonical SMILES for 2-cyclopentyl-2-(3,3,3-trifluoropropylsulfanyl)acetonitrile is N#CC(SCCC(F)(F)F)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-(3,3,3-trifluoropropylsulfanyl)acetonitrile?
The InChIKey is ZOTHWEIMZHAUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NS/c11-10(12,13)5-6-15-9(7-14)8-3-1-2-4-8/h8-9H,1-6H2.
What are the key properties of 2-cyclopentyl-2-(3,3,3-trifluoropropylsulfanyl)acetonitrile?
2-cyclopentyl-2-(3,3,3-trifluoropropylsulfanyl)acetonitrile has a molecular weight of 237.29 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(3,3,3-trifluoropropylsulfanyl)acetonitrile is sourced from PubChem (CID 59378306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).