1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone

C12H13F2NO2 — CID 81466302

IUPAC1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone
SMILESO=C(CC1COCCN1)c1cc(F)ccc1F
InChIInChI=1S/C12H13F2NO2/c13-8-1-2-11(14)10(5-8)12(16)6-9-7-17-4-3-15-9/h1-2,5,9,15H,3-4,6-7H2
InChIKeyGYDCLRIBFRNBIF-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.53
Rot. Bonds3

About 1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone

1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone (PubChem CID 81466302) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone
PubChem CID81466302
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone
SMILESO=C(CC1COCCN1)c1cc(F)ccc1F
InChIInChI=1S/C12H13F2NO2/c13-8-1-2-11(14)10(5-8)12(16)6-9-7-17-4-3-15-9/h1-2,5,9,15H,3-4,6-7H2
InChIKeyGYDCLRIBFRNBIF-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone
CID 81465797
1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one
CID 116595683
1-(5-bromo-2-methylphenyl)-2-morpholin-3-ylethanone
CID 116919919
2-[(3R)-morpholin-3-yl]-1-phenylethanone
CID 95396636
2-morpholin-3-yl-1-phenylethanone
CID 14753828
1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone
CID 116919891
3-[(Z)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]morpholine
CID 113462313
2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide
CID 103548886
1-(4-ethoxy-3-fluorophenyl)-2-morpholin-3-ylethanone
CID 116919897
3-[(Z)-3-(2-chloro-5-fluorophenyl)-2-methylprop-2-enyl]morpholine
CID 102621780
1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone
CID 116917007
1-(2,4-difluorophenyl)-2-morpholin-3-ylethanol
CID 81467090

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone?
The IUPAC name of 1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone (CID 81466302) is 1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone is O=C(CC1COCCN1)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone?
The InChIKey is GYDCLRIBFRNBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-8-1-2-11(14)10(5-8)12(16)6-9-7-17-4-3-15-9/h1-2,5,9,15H,3-4,6-7H2.
What are the key properties of 1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone?
1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone has a molecular weight of 241.24 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone is sourced from PubChem (CID 81466302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).