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

C11H19F3N2O — CID 62775980

IUPAC3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCC(N)C1
InChIInChI=1S/C11H19F3N2O/c1-2-16(7-11(12,13)14)10(17)8-4-3-5-9(15)6-8/h8-9H,2-7,15H2,1H3
InChIKeyOUOLRRZOVLUXPZ-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.91
Rot. Bonds3

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

3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 62775980) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID62775980
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCC(N)C1
InChIInChI=1S/C11H19F3N2O/c1-2-16(7-11(12,13)14)10(17)8-4-3-5-9(15)6-8/h8-9H,2-7,15H2,1H3
InChIKeyOUOLRRZOVLUXPZ-UHFFFAOYSA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 62775980) is 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CCN(CC(F)(F)F)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is OUOLRRZOVLUXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-2-16(7-11(12,13)14)10(17)8-4-3-5-9(15)6-8/h8-9H,2-7,15H2,1H3.
What are the key properties of 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62775980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).