2,4,4-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C11H20F3NO — CID 82710685

IUPAC2,4,4-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1NOCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-8-6-10(2,3)5-4-9(8)15-16-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3
InChIKeyCYWWHMUFPPKGMH-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.28
Rot. Bonds3

About 2,4,4-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

2,4,4-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 82710685) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID82710685
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2,4,4-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1NOCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-8-6-10(2,3)5-4-9(8)15-16-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3
InChIKeyCYWWHMUFPPKGMH-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,4,4-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethoxy-2-(trifluoromethyl)cyclohexan-1-amine
CID 82709358
N-ethoxy-3-(trifluoromethyl)cyclohexan-1-amine
CID 82709538
N-(2-methylpropoxy)-4-(trifluoromethyl)cyclohexan-1-amine
CID 82709736
N-(2-methylpropoxy)-3-(trifluoromethyl)cyclohexan-1-amine
CID 82709929
N-ethoxy-4-(trifluoromethyl)cyclohexan-1-amine
CID 82710071
4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 82710885
4-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 82710902
4-tert-butyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 82711113
3-ethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 82711132
3,5-dimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 82711229
2-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 82711242
3,3,5-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 82711250

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 82710685) is 2,4,4-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CC1CC(C)(C)CCC1NOCC(F)(F)F.
What is the InChIKey of 2,4,4-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is CYWWHMUFPPKGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8-6-10(2,3)5-4-9(8)15-16-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
2,4,4-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 82710685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).