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

C9H18F3NO — CID 106705883

IUPACN-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine
SMILESCCCC(CNC)COCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-3-4-8(5-13-2)6-14-7-9(10,11)12/h8,13H,3-7H2,1-2H3
InChIKeyIDHQFTQKKAIQAP-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.20
Rot. Bonds7

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

N-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine (PubChem CID 106705883) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is N-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine
PubChem CID106705883
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC NameN-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine
SMILESCCCC(CNC)COCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-3-4-8(5-13-2)6-14-7-9(10,11)12/h8,13H,3-7H2,1-2H3
InChIKeyIDHQFTQKKAIQAP-UHFFFAOYSA-N
XLogP2.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-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-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine?
The IUPAC name of N-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine (CID 106705883) is N-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine.
What is the SMILES notation for N-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine?
The canonical SMILES for N-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine is CCCC(CNC)COCC(F)(F)F.
What is the InChIKey of N-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine?
The InChIKey is IDHQFTQKKAIQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-3-4-8(5-13-2)6-14-7-9(10,11)12/h8,13H,3-7H2,1-2H3.
What are the key properties of N-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine?
N-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine has a molecular weight of 213.24 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine is sourced from PubChem (CID 106705883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).