2-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C11H20F3NO — CID 82711242

IUPAC2-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(C)C1CCCCC1NOCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-8(2)9-5-3-4-6-10(9)15-16-7-11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyZTMHJHDAGLUPBA-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.28
Rot. Bonds4

About 2-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

2-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 82711242) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name2-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID82711242
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(C)C1CCCCC1NOCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-8(2)9-5-3-4-6-10(9)15-16-7-11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyZTMHJHDAGLUPBA-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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'}

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Related Compounds

N-methoxy-2-(trifluoromethyl)cyclohexan-1-amine
CID 82706422
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
2,4,4-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 82710685
2-cyclohexyl-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82710866
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

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of 2-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 82711242) is 2-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for 2-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for 2-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CC(C)C1CCCCC1NOCC(F)(F)F.
What is the InChIKey of 2-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is ZTMHJHDAGLUPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8(2)9-5-3-4-6-10(9)15-16-7-11(12,13)14/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
2-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 82711242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).