N,2-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine

C8H16F3NO — CID 62353423

IUPACN,2-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCC(C)(CNC)OCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-4-7(2,5-12-3)13-6-8(9,10)11/h12H,4-6H2,1-3H3
InChIKeyKCMZHCGXSPEEQW-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.95
Rot. Bonds5

About N,2-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine

N,2-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 62353423) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is N,2-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID62353423
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC NameN,2-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCC(C)(CNC)OCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-4-7(2,5-12-3)13-6-8(9,10)11/h12H,4-6H2,1-3H3
InChIKeyKCMZHCGXSPEEQW-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,2-dimethyl-2-(2,2,2-trifluoroethoxy)butan-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 N,2-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of N,2-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine (CID 62353423) is N,2-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for N,2-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine is CCC(C)(CNC)OCC(F)(F)F.
What is the InChIKey of N,2-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is KCMZHCGXSPEEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-4-7(2,5-12-3)13-6-8(9,10)11/h12H,4-6H2,1-3H3.
What are the key properties of N,2-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine?
N,2-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 199.22 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 62353423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).