2,2-difluoro-2-(3-fluorophenoxy)-1-morpholin-4-ylethanone

C12H12F3NO3 — CID 118048826

IUPAC2,2-difluoro-2-(3-fluorophenoxy)-1-morpholin-4-ylethanone
SMILESO=C(N1CCOCC1)C(F)(F)Oc1cccc(F)c1
InChIInChI=1S/C12H12F3NO3/c13-9-2-1-3-10(8-9)19-12(14,15)11(17)16-4-6-18-7-5-16/h1-3,8H,4-7H2
InChIKeyBTAWLUTXUMPBLB-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.66
Rot. Bonds3

About 2,2-difluoro-2-(3-fluorophenoxy)-1-morpholin-4-ylethanone

2,2-difluoro-2-(3-fluorophenoxy)-1-morpholin-4-ylethanone (PubChem CID 118048826) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is 2,2-difluoro-2-(3-fluorophenoxy)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2,2-difluoro-2-(3-fluorophenoxy)-1-morpholin-4-ylethanone
PubChem CID118048826
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Name2,2-difluoro-2-(3-fluorophenoxy)-1-morpholin-4-ylethanone
SMILESO=C(N1CCOCC1)C(F)(F)Oc1cccc(F)c1
InChIInChI=1S/C12H12F3NO3/c13-9-2-1-3-10(8-9)19-12(14,15)11(17)16-4-6-18-7-5-16/h1-3,8H,4-7H2
InChIKeyBTAWLUTXUMPBLB-UHFFFAOYSA-N
XLogP1.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-difluoro-2-(3-fluorophenoxy)-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoro-2-(3-fluorophenoxy)acetate
CID 162451015
difluoro-(3-fluorophenoxy)methanol
CID 143474773
(3-fluorophenyl) 4-morpholin-4-ylsulfonylbenzoate
CID 8779251
[4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 110869127
N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide
CID 111820472
2-(3-fluorophenoxy)-1-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanone
CID 154838081
methyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate
CID 116860419
2-(3-bromophenyl)sulfanyl-2,2-difluoro-1-morpholin-4-ylethanone
CID 129451876
[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 46471000
2-[4-(4-fluorobenzoyl)phenoxy]-2-methyl-1-morpholin-4-ylpropan-1-one
CID 154646222
[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]naphthalen-1-yl]-morpholin-4-ylmethanone
CID 175643336
[4-(3-fluorobenzoyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 32522141

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(3-fluorophenoxy)-1-morpholin-4-ylethanone?
The IUPAC name of 2,2-difluoro-2-(3-fluorophenoxy)-1-morpholin-4-ylethanone (CID 118048826) is 2,2-difluoro-2-(3-fluorophenoxy)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2,2-difluoro-2-(3-fluorophenoxy)-1-morpholin-4-ylethanone?
The canonical SMILES for 2,2-difluoro-2-(3-fluorophenoxy)-1-morpholin-4-ylethanone is O=C(N1CCOCC1)C(F)(F)Oc1cccc(F)c1.
What is the InChIKey of 2,2-difluoro-2-(3-fluorophenoxy)-1-morpholin-4-ylethanone?
The InChIKey is BTAWLUTXUMPBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3/c13-9-2-1-3-10(8-9)19-12(14,15)11(17)16-4-6-18-7-5-16/h1-3,8H,4-7H2.
What are the key properties of 2,2-difluoro-2-(3-fluorophenoxy)-1-morpholin-4-ylethanone?
2,2-difluoro-2-(3-fluorophenoxy)-1-morpholin-4-ylethanone has a molecular weight of 275.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(3-fluorophenoxy)-1-morpholin-4-ylethanone is sourced from PubChem (CID 118048826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).