2,2-difluoro-N-[1-(oxolan-2-yl)ethyl]ethanamine

C8H15F2NO — CID 60923203

IUPAC2,2-difluoro-N-[1-(oxolan-2-yl)ethyl]ethanamine
SMILESCC(NCC(F)F)C1CCCO1
InChIInChI=1S/C8H15F2NO/c1-6(11-5-8(9)10)7-3-2-4-12-7/h6-8,11H,2-5H2,1H3
InChIKeyVCQCDXULIXACGJ-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.41
Rot. Bonds4

About 2,2-difluoro-N-[1-(oxolan-2-yl)ethyl]ethanamine

2,2-difluoro-N-[1-(oxolan-2-yl)ethyl]ethanamine (PubChem CID 60923203) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2,2-difluoro-N-[1-(oxolan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[1-(oxolan-2-yl)ethyl]ethanamine
PubChem CID60923203
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2,2-difluoro-N-[1-(oxolan-2-yl)ethyl]ethanamine
SMILESCC(NCC(F)F)C1CCCO1
InChIInChI=1S/C8H15F2NO/c1-6(11-5-8(9)10)7-3-2-4-12-7/h6-8,11H,2-5H2,1H3
InChIKeyVCQCDXULIXACGJ-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-N-[1-(oxolan-2-yl)ethyl]ethanamine 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 2,2-difluoro-N-[1-(oxolan-2-yl)ethyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[1-(oxolan-2-yl)ethyl]ethanamine (CID 60923203) is 2,2-difluoro-N-[1-(oxolan-2-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[1-(oxolan-2-yl)ethyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[1-(oxolan-2-yl)ethyl]ethanamine is CC(NCC(F)F)C1CCCO1.
What is the InChIKey of 2,2-difluoro-N-[1-(oxolan-2-yl)ethyl]ethanamine?
The InChIKey is VCQCDXULIXACGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(11-5-8(9)10)7-3-2-4-12-7/h6-8,11H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-N-[1-(oxolan-2-yl)ethyl]ethanamine?
2,2-difluoro-N-[1-(oxolan-2-yl)ethyl]ethanamine has a molecular weight of 179.21 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[1-(oxolan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 60923203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).