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

C8H11F3N2 — CID 60998902

IUPAC1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile
SMILESN#CC1(NCC(F)(F)F)CCCC1
InChIInChI=1S/C8H11F3N2/c9-8(10,11)6-13-7(5-12)3-1-2-4-7/h13H,1-4,6H2
InChIKeyJRVXFVSQVLPROC-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.97
Rot. Bonds2

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

1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile (PubChem CID 60998902) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile
PubChem CID60998902
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile
SMILESN#CC1(NCC(F)(F)F)CCCC1
InChIInChI=1S/C8H11F3N2/c9-8(10,11)6-13-7(5-12)3-1-2-4-7/h13H,1-4,6H2
InChIKeyJRVXFVSQVLPROC-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile (CID 60998902) is 1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile is N#CC1(NCC(F)(F)F)CCCC1.
What is the InChIKey of 1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile?
The InChIKey is JRVXFVSQVLPROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c9-8(10,11)6-13-7(5-12)3-1-2-4-7/h13H,1-4,6H2.
What are the key properties of 1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile?
1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile has a molecular weight of 192.18 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 60998902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).