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

C10H15F3N2 — CID 55026552

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile
SMILESCN(CC(F)(F)F)C1CCCCC1C#N
InChIInChI=1S/C10H15F3N2/c1-15(7-10(11,12)13)9-5-3-2-4-8(9)6-14/h8-9H,2-5,7H2,1H3
InChIKeyFFRYXQZTBQBVPC-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.56
Rot. Bonds2

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

2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile (PubChem CID 55026552) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile
PubChem CID55026552
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile
SMILESCN(CC(F)(F)F)C1CCCCC1C#N
InChIInChI=1S/C10H15F3N2/c1-15(7-10(11,12)13)9-5-3-2-4-8(9)6-14/h8-9H,2-5,7H2,1H3
InChIKeyFFRYXQZTBQBVPC-UHFFFAOYSA-N
XLogP2.56
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.56
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]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile (CID 55026552) is 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile is CN(CC(F)(F)F)C1CCCCC1C#N.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is FFRYXQZTBQBVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-15(7-10(11,12)13)9-5-3-2-4-8(9)6-14/h8-9H,2-5,7H2,1H3.
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile?
2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 220.24 g/mol, XLogP of 2.56, 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]cyclohexane-1-carbonitrile is sourced from PubChem (CID 55026552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).