4-(2,6-difluorophenyl)-1-phenylbutan-1-one

C16H14F2O — CID 114934397

IUPAC4-(2,6-difluorophenyl)-1-phenylbutan-1-one
SMILESO=C(CCCc1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C16H14F2O/c17-14-9-5-10-15(18)13(14)8-4-11-16(19)12-6-2-1-3-7-12/h1-3,5-7,9-10H,4,8,11H2
InChIKeyKQTKJUBHHGPRCL-UHFFFAOYSA-N
MW260.28 g/mol
LogP4.17
Rot. Bonds5

About 4-(2,6-difluorophenyl)-1-phenylbutan-1-one

4-(2,6-difluorophenyl)-1-phenylbutan-1-one (PubChem CID 114934397) has the molecular formula C16H14F2O and a molecular weight of 260.28 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-1-phenylbutan-1-one
PubChem CID114934397
Molecular FormulaC16H14F2O
Molecular Weight260.28 g/mol
Exact Mass260.10
IUPAC Name4-(2,6-difluorophenyl)-1-phenylbutan-1-one
SMILESO=C(CCCc1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C16H14F2O/c17-14-9-5-10-15(18)13(14)8-4-11-16(19)12-6-2-1-3-7-12/h1-3,5-7,9-10H,4,8,11H2
InChIKeyKQTKJUBHHGPRCL-UHFFFAOYSA-N
XLogP4.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,15-diphenylpentadecane-1,15-dione
CID 159981687
4-(4-benzoylphenyl)-1-phenylbutan-1-one
CID 15737707
5-oxo-5-phenylpentanamide
CID 3787245
4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one
CID 60692532
1-(3-methylphenyl)-4-phenylbutan-1-one
CID 54171094
12-hydroxy-1-phenyldodecan-1-one
CID 11482778
ethane;1-phenylpentan-1-one
CID 143728184
1-phenylheptane-1,6-dione
CID 11333176
3-(2,6-difluorophenyl)propanoyl chloride
CID 83402658
1,8-diphenyloctane-1,4,8-trione
CID 140639847
3-(4-bromo-2-fluorophenyl)-1-phenylpropan-1-one
CID 43438809
1-(2-bromo-6-fluorophenyl)-4-phenylbutan-1-one
CID 114885403

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-1-phenylbutan-1-one?
The IUPAC name of 4-(2,6-difluorophenyl)-1-phenylbutan-1-one (CID 114934397) is 4-(2,6-difluorophenyl)-1-phenylbutan-1-one.
What is the SMILES notation for 4-(2,6-difluorophenyl)-1-phenylbutan-1-one?
The canonical SMILES for 4-(2,6-difluorophenyl)-1-phenylbutan-1-one is O=C(CCCc1c(F)cccc1F)c1ccccc1.
What is the InChIKey of 4-(2,6-difluorophenyl)-1-phenylbutan-1-one?
The InChIKey is KQTKJUBHHGPRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O/c17-14-9-5-10-15(18)13(14)8-4-11-16(19)12-6-2-1-3-7-12/h1-3,5-7,9-10H,4,8,11H2.
What are the key properties of 4-(2,6-difluorophenyl)-1-phenylbutan-1-one?
4-(2,6-difluorophenyl)-1-phenylbutan-1-one has a molecular weight of 260.28 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-1-phenylbutan-1-one is sourced from PubChem (CID 114934397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).