1-(3,5-difluorophenyl)-3-phenylpropan-2-one

C15H12F2O — CID 61496724

IUPAC1-(3,5-difluorophenyl)-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)Cc1cc(F)cc(F)c1
InChIInChI=1S/C15H12F2O/c16-13-6-12(7-14(17)10-13)9-15(18)8-11-4-2-1-3-5-11/h1-7,10H,8-9H2
InChIKeyGEYGMUCOKRCHPR-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.32
Rot. Bonds4

About 1-(3,5-difluorophenyl)-3-phenylpropan-2-one

1-(3,5-difluorophenyl)-3-phenylpropan-2-one (PubChem CID 61496724) has the molecular formula C15H12F2O and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-phenylpropan-2-one
PubChem CID61496724
Molecular FormulaC15H12F2O
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name1-(3,5-difluorophenyl)-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)Cc1cc(F)cc(F)c1
InChIInChI=1S/C15H12F2O/c16-13-6-12(7-14(17)10-13)9-15(18)8-11-4-2-1-3-5-11/h1-7,10H,8-9H2
InChIKeyGEYGMUCOKRCHPR-UHFFFAOYSA-N
XLogP3.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-diphenyl(213C)propan-2-one
CID 100945080
1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65476457
1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one
CID 105411862
1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62620261
1-bromo-3-(3,5-difluorophenyl)propan-2-one
CID 53403276
1-(3,5-difluorophenyl)butan-2-one
CID 61496651
1-(2,6-dimethyl-4-pyridinyl)-3-phenylpropan-2-one
CID 141325078
1-(3,5-difluorophenyl)-4-(2-methylphenyl)butan-2-one
CID 105412208
1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one
CID 61496497
1-(4-chlorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 39362692
1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 61219534
(1R)-1-amino-3-(3,5-difluorophenyl)-1-phenylpropan-2-one
CID 105412057

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-phenylpropan-2-one?
The IUPAC name of 1-(3,5-difluorophenyl)-3-phenylpropan-2-one (CID 61496724) is 1-(3,5-difluorophenyl)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-phenylpropan-2-one?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-phenylpropan-2-one is O=C(Cc1ccccc1)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-phenylpropan-2-one?
The InChIKey is GEYGMUCOKRCHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O/c16-13-6-12(7-14(17)10-13)9-15(18)8-11-4-2-1-3-5-11/h1-7,10H,8-9H2.
What are the key properties of 1-(3,5-difluorophenyl)-3-phenylpropan-2-one?
1-(3,5-difluorophenyl)-3-phenylpropan-2-one has a molecular weight of 246.26 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-phenylpropan-2-one is sourced from PubChem (CID 61496724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).