1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one

C13H15F2NO2 — CID 116595683

IUPAC1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one
SMILESO=C(Cc1cc(F)ccc1F)CC1COCCN1
InChIInChI=1S/C13H15F2NO2/c14-10-1-2-13(15)9(5-10)6-12(17)7-11-8-18-4-3-16-11/h1-2,5,11,16H,3-4,6-8H2
InChIKeyFCFHLQANSBOMIZ-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.45
Rot. Bonds4

About 1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one

1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one (PubChem CID 116595683) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one
PubChem CID116595683
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one
SMILESO=C(Cc1cc(F)ccc1F)CC1COCCN1
InChIInChI=1S/C13H15F2NO2/c14-10-1-2-13(15)9(5-10)6-12(17)7-11-8-18-4-3-16-11/h1-2,5,11,16H,3-4,6-8H2
InChIKeyFCFHLQANSBOMIZ-UHFFFAOYSA-N
XLogP1.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone
CID 81466302
1-(2,5-difluorophenyl)-3-(oxolan-3-yl)propan-2-one
CID 103986233
1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone
CID 81465797
1-morpholin-3-yl-3-pyridin-4-ylpropan-2-one
CID 116595856
3-[(Z)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]morpholine
CID 113462313
2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide
CID 103548886
1-morpholin-3-yl-3-pyridin-2-ylpropan-2-one
CID 116595828
3-[(5-fluoro-2-methoxyphenyl)methyl]morpholine
CID 82287541
3-[(Z)-3-(2-chloro-5-fluorophenyl)-2-methylprop-2-enyl]morpholine
CID 102621780
1-(2,4-difluorophenyl)-2-morpholin-3-ylethanol
CID 81467090
1-(2-chloro-5-fluorophenyl)-3-(oxolan-3-yl)propan-2-one
CID 102617804
3-[(Z)-3-(4-fluoro-2-methylphenyl)-2-methylprop-2-enyl]morpholine
CID 114350103

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one?
The IUPAC name of 1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one (CID 116595683) is 1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one is O=C(Cc1cc(F)ccc1F)CC1COCCN1.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one?
The InChIKey is FCFHLQANSBOMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c14-10-1-2-13(15)9(5-10)6-12(17)7-11-8-18-4-3-16-11/h1-2,5,11,16H,3-4,6-8H2.
What are the key properties of 1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one?
1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one has a molecular weight of 255.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one is sourced from PubChem (CID 116595683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).