N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine

C8H16F3NO — CID 62042542

IUPACN-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine
SMILESCCCC(COCC(F)(F)F)NC
InChIInChI=1S/C8H16F3NO/c1-3-4-7(12-2)5-13-6-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyZRSSSGDGTIYNPF-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.95
Rot. Bonds6

About N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine

N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine (PubChem CID 62042542) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine
PubChem CID62042542
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC NameN-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine
SMILESCCCC(COCC(F)(F)F)NC
InChIInChI=1S/C8H16F3NO/c1-3-4-7(12-2)5-13-6-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyZRSSSGDGTIYNPF-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-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-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine?
The IUPAC name of N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine (CID 62042542) is N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine.
What is the SMILES notation for N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine?
The canonical SMILES for N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine is CCCC(COCC(F)(F)F)NC.
What is the InChIKey of N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine?
The InChIKey is ZRSSSGDGTIYNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-3-4-7(12-2)5-13-6-8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine?
N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine has a molecular weight of 199.22 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine is sourced from PubChem (CID 62042542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).