2,2-difluoromorpholine;hydrochloride

C4H8ClF2NO — CID 119056916

IUPAC2,2-difluoromorpholine;hydrochloride
SMILESCl.FC1(F)CNCCO1
InChIInChI=1S/C4H7F2NO.ClH/c5-4(6)3-7-1-2-8-4;/h7H,1-3H2;1H
InChIKeyKOXFKUYDIWWXLU-UHFFFAOYSA-N
MW159.56 g/mol
LogP0.62
Rot. Bonds

About 2,2-difluoromorpholine;hydrochloride

2,2-difluoromorpholine;hydrochloride (PubChem CID 119056916) has the molecular formula C4H8ClF2NO and a molecular weight of 159.56 g/mol. Its IUPAC name is 2,2-difluoromorpholine;hydrochloride.

Molecular Properties

Compound Name2,2-difluoromorpholine;hydrochloride
PubChem CID119056916
Molecular FormulaC4H8ClF2NO
Molecular Weight159.56 g/mol
Exact Mass159.03
IUPAC Name2,2-difluoromorpholine;hydrochloride
SMILESCl.FC1(F)CNCCO1
InChIInChI=1S/C4H7F2NO.ClH/c5-4(6)3-7-1-2-8-4;/h7H,1-3H2;1H
InChIKeyKOXFKUYDIWWXLU-UHFFFAOYSA-N
XLogP0.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.56
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoromorpholine;hydrochloride 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-difluoromorpholine;hydrochloride?
The IUPAC name of 2,2-difluoromorpholine;hydrochloride (CID 119056916) is 2,2-difluoromorpholine;hydrochloride.
What is the SMILES notation for 2,2-difluoromorpholine;hydrochloride?
The canonical SMILES for 2,2-difluoromorpholine;hydrochloride is Cl.FC1(F)CNCCO1.
What is the InChIKey of 2,2-difluoromorpholine;hydrochloride?
The InChIKey is KOXFKUYDIWWXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO.ClH/c5-4(6)3-7-1-2-8-4;/h7H,1-3H2;1H.
What are the key properties of 2,2-difluoromorpholine;hydrochloride?
2,2-difluoromorpholine;hydrochloride has a molecular weight of 159.56 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoromorpholine;hydrochloride is sourced from PubChem (CID 119056916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).