3,4-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide

C11H19F3N2O — CID 64746246

IUPAC3,4-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
SMILESCC1CCC(NCC(F)(F)F)(C(N)=O)CC1C
InChIInChI=1S/C11H19F3N2O/c1-7-3-4-10(9(15)17,5-8(7)2)16-6-11(12,13)14/h7-8,16H,3-6H2,1-2H3,(H2,15,17)
InChIKeyIDXOHSKAVPTZIB-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.82
Rot. Bonds3

About 3,4-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide

3,4-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide (PubChem CID 64746246) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3,4-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
PubChem CID64746246
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name3,4-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
SMILESCC1CCC(NCC(F)(F)F)(C(N)=O)CC1C
InChIInChI=1S/C11H19F3N2O/c1-7-3-4-10(9(15)17,5-8(7)2)16-6-11(12,13)14/h7-8,16H,3-6H2,1-2H3,(H2,15,17)
InChIKeyIDXOHSKAVPTZIB-UHFFFAOYSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3,4-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide (CID 64746246) is 3,4-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3,4-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3,4-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide is CC1CCC(NCC(F)(F)F)(C(N)=O)CC1C.
What is the InChIKey of 3,4-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide?
The InChIKey is IDXOHSKAVPTZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-7-3-4-10(9(15)17,5-8(7)2)16-6-11(12,13)14/h7-8,16H,3-6H2,1-2H3,(H2,15,17).
What are the key properties of 3,4-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide?
3,4-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 64746246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).