3,4-difluoro-1-morpholin-4-ylbutan-1-one

C8H13F2NO2 — CID 155932453

IUPAC3,4-difluoro-1-morpholin-4-ylbutan-1-one
SMILESO=C(CC(F)CF)N1CCOCC1
InChIInChI=1S/C8H13F2NO2/c9-6-7(10)5-8(12)11-1-3-13-4-2-11/h7H,1-6H2
InChIKeyBUGGXYWFHIRZGN-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.54
Rot. Bonds3

About 3,4-difluoro-1-morpholin-4-ylbutan-1-one

3,4-difluoro-1-morpholin-4-ylbutan-1-one (PubChem CID 155932453) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 3,4-difluoro-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name3,4-difluoro-1-morpholin-4-ylbutan-1-one
PubChem CID155932453
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name3,4-difluoro-1-morpholin-4-ylbutan-1-one
SMILESO=C(CC(F)CF)N1CCOCC1
InChIInChI=1S/C8H13F2NO2/c9-6-7(10)5-8(12)11-1-3-13-4-2-11/h7H,1-6H2
InChIKeyBUGGXYWFHIRZGN-UHFFFAOYSA-N
XLogP0.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-difluoro-1-morpholin-4-ylbutan-1-one 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 3,4-difluoro-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 3,4-difluoro-1-morpholin-4-ylbutan-1-one (CID 155932453) is 3,4-difluoro-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 3,4-difluoro-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 3,4-difluoro-1-morpholin-4-ylbutan-1-one is O=C(CC(F)CF)N1CCOCC1.
What is the InChIKey of 3,4-difluoro-1-morpholin-4-ylbutan-1-one?
The InChIKey is BUGGXYWFHIRZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c9-6-7(10)5-8(12)11-1-3-13-4-2-11/h7H,1-6H2.
What are the key properties of 3,4-difluoro-1-morpholin-4-ylbutan-1-one?
3,4-difluoro-1-morpholin-4-ylbutan-1-one has a molecular weight of 193.19 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 155932453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).