1-(3,5-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one

C16H13F3O — CID 64759777

IUPAC1-(3,5-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)c1cc(F)cc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C16H13F3O/c1-16(2,11-3-5-12(17)6-4-11)15(20)10-7-13(18)9-14(19)8-10/h3-9H,1-2H3
InChIKeyCJVXZHVJSULLSD-UHFFFAOYSA-N
MW278.27 g/mol
LogP4.26
Rot. Bonds3

About 1-(3,5-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one

1-(3,5-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one (PubChem CID 64759777) has the molecular formula C16H13F3O and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
PubChem CID64759777
Molecular FormulaC16H13F3O
Molecular Weight278.27 g/mol
Exact Mass278.09
IUPAC Name1-(3,5-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)c1cc(F)cc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C16H13F3O/c1-16(2,11-3-5-12(17)6-4-11)15(20)10-7-13(18)9-14(19)8-10/h3-9H,1-2H3
InChIKeyCJVXZHVJSULLSD-UHFFFAOYSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis(4-fluorophenyl)-2-methylpropan-1-one
CID 64757736
2-(4-aminophenyl)-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-one
CID 116598705
1-(4-ethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 64759583
2-(4-fluorophenyl)-1-(furan-3-yl)-2-methylpropan-1-one
CID 64759760
1-(4-chloro-3-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 79697694
1-(3,5-difluorophenyl)-2-methyl-2-methylsulfonylpropan-1-one
CID 114970512
1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-one
CID 79047242
2-(4-fluorophenyl)-1-(furan-2-yl)-2-methylpropan-1-one
CID 64757945
1-(3-bromofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 64759970
1-(3,5-difluorophenyl)-2,2-difluoro-2-methylsulfanylethanone
CID 59098512
2-amino-1-(3,5-difluorophenyl)-2-methylbutan-1-one
CID 116590471
2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one
CID 13113175

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(3,5-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one (CID 64759777) is 1-(3,5-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one is CC(C)(C(=O)c1cc(F)cc(F)c1)c1ccc(F)cc1.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one?
The InChIKey is CJVXZHVJSULLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O/c1-16(2,11-3-5-12(17)6-4-11)15(20)10-7-13(18)9-14(19)8-10/h3-9H,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one?
1-(3,5-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one has a molecular weight of 278.27 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 64759777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).