2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile

C8H11F3N2 — CID 62742040

IUPAC2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NCC(F)(F)F
InChIInChI=1S/C8H11F3N2/c9-8(10,11)5-13-7-3-1-2-6(7)4-12/h6-7,13H,1-3,5H2
InChIKeyOFPDGAHNOVASRZ-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.83
Rot. Bonds2

About 2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile

2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile (PubChem CID 62742040) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile
PubChem CID62742040
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NCC(F)(F)F
InChIInChI=1S/C8H11F3N2/c9-8(10,11)5-13-7-3-1-2-6(7)4-12/h6-7,13H,1-3,5H2
InChIKeyOFPDGAHNOVASRZ-UHFFFAOYSA-N
XLogP1.83
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-ethoxy-2-methylpropyl)amino]cyclopentane-1-carbonitrile
CID 114941959
2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carbonitrile
CID 63828405
2-(2-methylpropylamino)cyclopentane-1-carbonitrile
CID 62742196
2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile
CID 62742568
N-[1-[(2-cyanocyclohexyl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859503
2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopentane-1-carbonitrile
CID 62960937
2-methyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 63278251
2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile
CID 115903557
2-[[(E)-3-chloroprop-2-enyl]amino]cyclopentane-1-carbonitrile
CID 131232100
2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile
CID 62879600
2-[(3-methoxy-3-methylbutyl)amino]cyclopentane-1-carbonitrile
CID 106675432
2-[(1-methylcyclobutyl)methylamino]cyclopentane-1-carbonitrile
CID 103917793

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile (CID 62742040) is 2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile is N#CC1CCCC1NCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile?
The InChIKey is OFPDGAHNOVASRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c9-8(10,11)5-13-7-3-1-2-6(7)4-12/h6-7,13H,1-3,5H2.
What are the key properties of 2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile?
2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile has a molecular weight of 192.18 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 62742040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).