4,4-dimethyl-N-(2,2,2-trifluoroethoxy)cycloheptan-1-amine

C11H20F3NO — CID 82710649

IUPAC4,4-dimethyl-N-(2,2,2-trifluoroethoxy)cycloheptan-1-amine
SMILESCC1(C)CCCC(NOCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-10(2)6-3-4-9(5-7-10)15-16-8-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyLQYFZKFQBBKCDV-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.43
Rot. Bonds3

About 4,4-dimethyl-N-(2,2,2-trifluoroethoxy)cycloheptan-1-amine

4,4-dimethyl-N-(2,2,2-trifluoroethoxy)cycloheptan-1-amine (PubChem CID 82710649) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 4,4-dimethyl-N-(2,2,2-trifluoroethoxy)cycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(2,2,2-trifluoroethoxy)cycloheptan-1-amine
PubChem CID82710649
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name4,4-dimethyl-N-(2,2,2-trifluoroethoxy)cycloheptan-1-amine
SMILESCC1(C)CCCC(NOCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-10(2)6-3-4-9(5-7-10)15-16-8-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyLQYFZKFQBBKCDV-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4-dimethyl-N-(2,2,2-trifluoroethoxy)cycloheptan-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

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(2,2,2-trifluoroethoxy)cycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-N-(2,2,2-trifluoroethoxy)cycloheptan-1-amine (CID 82710649) is 4,4-dimethyl-N-(2,2,2-trifluoroethoxy)cycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(2,2,2-trifluoroethoxy)cycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(2,2,2-trifluoroethoxy)cycloheptan-1-amine is CC1(C)CCCC(NOCC(F)(F)F)CC1.
What is the InChIKey of 4,4-dimethyl-N-(2,2,2-trifluoroethoxy)cycloheptan-1-amine?
The InChIKey is LQYFZKFQBBKCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-10(2)6-3-4-9(5-7-10)15-16-8-11(12,13)14/h9,15H,3-8H2,1-2H3.
What are the key properties of 4,4-dimethyl-N-(2,2,2-trifluoroethoxy)cycloheptan-1-amine?
4,4-dimethyl-N-(2,2,2-trifluoroethoxy)cycloheptan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(2,2,2-trifluoroethoxy)cycloheptan-1-amine is sourced from PubChem (CID 82710649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).