2-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile

C9H13F3N2 — CID 60892330

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile
SMILESCN(CC(F)(F)F)C1CCCC1C#N
InChIInChI=1S/C9H13F3N2/c1-14(6-9(10,11)12)8-4-2-3-7(8)5-13/h7-8H,2-4,6H2,1H3
InChIKeyOFDIONLJURHALH-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.17
Rot. Bonds2

About 2-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile

2-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile (PubChem CID 60892330) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile
PubChem CID60892330
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile
SMILESCN(CC(F)(F)F)C1CCCC1C#N
InChIInChI=1S/C9H13F3N2/c1-14(6-9(10,11)12)8-4-2-3-7(8)5-13/h7-8H,2-4,6H2,1H3
InChIKeyOFDIONLJURHALH-UHFFFAOYSA-N
XLogP2.17
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile (CID 60892330) is 2-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile is CN(CC(F)(F)F)C1CCCC1C#N.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile?
The InChIKey is OFDIONLJURHALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-14(6-9(10,11)12)8-4-2-3-7(8)5-13/h7-8H,2-4,6H2,1H3.
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile?
2-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile has a molecular weight of 206.21 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 60892330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).