1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile

C13H12F3N — CID 43119035

IUPAC1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile
SMILESN#CC1(c2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C13H12F3N/c14-13(15,16)11-5-3-4-10(8-11)12(9-17)6-1-2-7-12/h3-5,8H,1-2,6-7H2
InChIKeyPPWAFEUEQXZITI-UHFFFAOYSA-N
MW239.24 g/mol
LogP4.04
Rot. Bonds1

About 1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile

1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile (PubChem CID 43119035) has the molecular formula C13H12F3N and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile
PubChem CID43119035
Molecular FormulaC13H12F3N
Molecular Weight239.24 g/mol
Exact Mass239.09
IUPAC Name1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile
SMILESN#CC1(c2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C13H12F3N/c14-13(15,16)11-5-3-4-10(8-11)12(9-17)6-1-2-7-12/h3-5,8H,1-2,6-7H2
InChIKeyPPWAFEUEQXZITI-UHFFFAOYSA-N
XLogP4.04
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(trifluoromethyl)phenyl]spiro[3.4]octane-2-carbonitrile
CID 65003210
1-[3-(1,1-difluorobutyl)phenyl]cyclobutane-1-carbonitrile
CID 116992950
6-[3-(trifluoromethyl)phenyl]-2-oxaspiro[3.3]heptane-6-carbonitrile
CID 115384855
3,3-diethyl-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carbonitrile
CID 65003754
1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene
CID 59590181
1-(3-methoxyphenyl)cyclopentane-1-carbonitrile
CID 15030110
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptane-1-carbonitrile
CID 65389527
4-[3,5-bis(trifluoromethyl)phenyl]piperidine-4-carbonitrile
CID 86657551
1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile
CID 137333018
2-[3-(trifluoromethyl)phenyl]spiro[3.5]nonan-2-amine
CID 65007104
1-(3,4-difluorophenyl)cyclohexane-1-carbonitrile
CID 66685213
2-amino-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 139573660

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile (CID 43119035) is 1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile is N#CC1(c2cccc(C(F)(F)F)c2)CCCC1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile?
The InChIKey is PPWAFEUEQXZITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N/c14-13(15,16)11-5-3-4-10(8-11)12(9-17)6-1-2-7-12/h3-5,8H,1-2,6-7H2.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile?
1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile has a molecular weight of 239.24 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 43119035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).