3-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C11H19F3N2O — CID 62781211

IUPAC3-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1C(N)CCCC1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-7-8(4-3-5-9(7)15)10(17)16(2)6-11(12,13)14/h7-9H,3-6,15H2,1-2H3
InChIKeyVPKVJYVNNDERAH-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.77
Rot. Bonds2

About 3-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

3-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 62781211) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID62781211
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name3-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1C(N)CCCC1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-7-8(4-3-5-9(7)15)10(17)16(2)6-11(12,13)14/h7-9H,3-6,15H2,1-2H3
InChIKeyVPKVJYVNNDERAH-UHFFFAOYSA-N
XLogP1.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 62781211) is 3-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CC1C(N)CCCC1C(=O)N(C)CC(F)(F)F.
What is the InChIKey of 3-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is VPKVJYVNNDERAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-7-8(4-3-5-9(7)15)10(17)16(2)6-11(12,13)14/h7-9H,3-6,15H2,1-2H3.
What are the key properties of 3-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
3-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62781211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).