N-(2,2-difluoroethyl)-N,2-dimethyloxolan-3-amine

C8H15F2NO — CID 131155355

IUPACN-(2,2-difluoroethyl)-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)CC(F)F
InChIInChI=1S/C8H15F2NO/c1-6-7(3-4-12-6)11(2)5-8(9)10/h6-8H,3-5H2,1-2H3
InChIKeyBAUFQYTYAYEIJX-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.36
Rot. Bonds3

About N-(2,2-difluoroethyl)-N,2-dimethyloxolan-3-amine

N-(2,2-difluoroethyl)-N,2-dimethyloxolan-3-amine (PubChem CID 131155355) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N,2-dimethyloxolan-3-amine
PubChem CID131155355
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC NameN-(2,2-difluoroethyl)-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)CC(F)F
InChIInChI=1S/C8H15F2NO/c1-6-7(3-4-12-6)11(2)5-8(9)10/h6-8H,3-5H2,1-2H3
InChIKeyBAUFQYTYAYEIJX-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2,2-difluoroethyl)-N,2-dimethyloxolan-3-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-(2,2-difluoroethyl)-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-N,2-dimethyloxolan-3-amine (CID 131155355) is N-(2,2-difluoroethyl)-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-N,2-dimethyloxolan-3-amine is CC1OCCC1N(C)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N,2-dimethyloxolan-3-amine?
The InChIKey is BAUFQYTYAYEIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6-7(3-4-12-6)11(2)5-8(9)10/h6-8H,3-5H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N,2-dimethyloxolan-3-amine?
N-(2,2-difluoroethyl)-N,2-dimethyloxolan-3-amine has a molecular weight of 179.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 131155355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).