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

C10H17F3N2O — CID 62776141

IUPAC3-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)C1CCCC(N)C1
InChIInChI=1S/C10H17F3N2O/c1-15(6-10(11,12)13)9(16)7-3-2-4-8(14)5-7/h7-8H,2-6,14H2,1H3
InChIKeyLYNLHYROWYALMO-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.52
Rot. Bonds2

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

3-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 62776141) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID62776141
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name3-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)C1CCCC(N)C1
InChIInChI=1S/C10H17F3N2O/c1-15(6-10(11,12)13)9(16)7-3-2-4-8(14)5-7/h7-8H,2-6,14H2,1H3
InChIKeyLYNLHYROWYALMO-UHFFFAOYSA-N
XLogP1.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 62776141) is 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CN(CC(F)(F)F)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is LYNLHYROWYALMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-15(6-10(11,12)13)9(16)7-3-2-4-8(14)5-7/h7-8H,2-6,14H2,1H3.
What are the key properties of 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
3-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62776141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).