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

C14H23F3N2 — CID 60890612

IUPAC4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile
SMILESCN(CC(F)(F)F)C1CC(C(C)(C)C)CCC1C#N
InChIInChI=1S/C14H23F3N2/c1-13(2,3)11-6-5-10(8-18)12(7-11)19(4)9-14(15,16)17/h10-12H,5-7,9H2,1-4H3
InChIKeyPYBWNEODLFFVNG-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.84
Rot. Bonds2

About 4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile

4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile (PubChem CID 60890612) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile
PubChem CID60890612
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile
SMILESCN(CC(F)(F)F)C1CC(C(C)(C)C)CCC1C#N
InChIInChI=1S/C14H23F3N2/c1-13(2,3)11-6-5-10(8-18)12(7-11)19(4)9-14(15,16)17/h10-12H,5-7,9H2,1-4H3
InChIKeyPYBWNEODLFFVNG-UHFFFAOYSA-N
XLogP3.84
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile (CID 60890612) is 4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile is CN(CC(F)(F)F)C1CC(C(C)(C)C)CCC1C#N.
What is the InChIKey of 4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is PYBWNEODLFFVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c1-13(2,3)11-6-5-10(8-18)12(7-11)19(4)9-14(15,16)17/h10-12H,5-7,9H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile?
4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 276.35 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 60890612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).