3,3,5-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C11H20F3NO — CID 82711250

IUPAC3,3,5-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC1CC(NOCC(F)(F)F)CC(C)(C)C1
InChIInChI=1S/C11H20F3NO/c1-8-4-9(6-10(2,3)5-8)15-16-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3
InChIKeyJCMLELZTOPMNSC-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.28
Rot. Bonds3

About 3,3,5-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

3,3,5-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 82711250) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3,3,5-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID82711250
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3,3,5-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC1CC(NOCC(F)(F)F)CC(C)(C)C1
InChIInChI=1S/C11H20F3NO/c1-8-4-9(6-10(2,3)5-8)15-16-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3
InChIKeyJCMLELZTOPMNSC-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'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 82711250) is 3,3,5-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CC1CC(NOCC(F)(F)F)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is JCMLELZTOPMNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8-4-9(6-10(2,3)5-8)15-16-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3.
What are the key properties of 3,3,5-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
3,3,5-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 3,3,5-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 82711250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).