N-ethyl-1,1-difluoro-3-(oxan-4-yl)propan-2-amine

C10H19F2NO — CID 103516564

IUPACN-ethyl-1,1-difluoro-3-(oxan-4-yl)propan-2-amine
SMILESCCNC(CC1CCOCC1)C(F)F
InChIInChI=1S/C10H19F2NO/c1-2-13-9(10(11)12)7-8-3-5-14-6-4-8/h8-10,13H,2-7H2,1H3
InChIKeyUGXVJUUQEQPVTE-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.05
Rot. Bonds5

About N-ethyl-1,1-difluoro-3-(oxan-4-yl)propan-2-amine

N-ethyl-1,1-difluoro-3-(oxan-4-yl)propan-2-amine (PubChem CID 103516564) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is N-ethyl-1,1-difluoro-3-(oxan-4-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1-difluoro-3-(oxan-4-yl)propan-2-amine
PubChem CID103516564
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC NameN-ethyl-1,1-difluoro-3-(oxan-4-yl)propan-2-amine
SMILESCCNC(CC1CCOCC1)C(F)F
InChIInChI=1S/C10H19F2NO/c1-2-13-9(10(11)12)7-8-3-5-14-6-4-8/h8-10,13H,2-7H2,1H3
InChIKeyUGXVJUUQEQPVTE-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-1,1-difluoro-3-(oxan-4-yl)propan-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-ethyl-1,1-difluoro-3-(oxan-4-yl)propan-2-amine?
The IUPAC name of N-ethyl-1,1-difluoro-3-(oxan-4-yl)propan-2-amine (CID 103516564) is N-ethyl-1,1-difluoro-3-(oxan-4-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1,1-difluoro-3-(oxan-4-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1,1-difluoro-3-(oxan-4-yl)propan-2-amine is CCNC(CC1CCOCC1)C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoro-3-(oxan-4-yl)propan-2-amine?
The InChIKey is UGXVJUUQEQPVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-2-13-9(10(11)12)7-8-3-5-14-6-4-8/h8-10,13H,2-7H2,1H3.
What are the key properties of N-ethyl-1,1-difluoro-3-(oxan-4-yl)propan-2-amine?
N-ethyl-1,1-difluoro-3-(oxan-4-yl)propan-2-amine has a molecular weight of 207.26 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-difluoro-3-(oxan-4-yl)propan-2-amine is sourced from PubChem (CID 103516564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).