4-fluoro-1,2-diphenylbutan-1-one

C16H15FO — CID 174928566

IUPAC4-fluoro-1,2-diphenylbutan-1-one
SMILESO=C(c1ccccc1)C(CCF)c1ccccc1
InChIInChI=1S/C16H15FO/c17-12-11-15(13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeySQNVDBJNGVORDV-UHFFFAOYSA-N
MW242.29 g/mol
LogP4.01
Rot. Bonds5

About 4-fluoro-1,2-diphenylbutan-1-one

4-fluoro-1,2-diphenylbutan-1-one (PubChem CID 174928566) has the molecular formula C16H15FO and a molecular weight of 242.29 g/mol. Its IUPAC name is 4-fluoro-1,2-diphenylbutan-1-one.

Molecular Properties

Compound Name4-fluoro-1,2-diphenylbutan-1-one
PubChem CID174928566
Molecular FormulaC16H15FO
Molecular Weight242.29 g/mol
Exact Mass242.11
IUPAC Name4-fluoro-1,2-diphenylbutan-1-one
SMILESO=C(c1ccccc1)C(CCF)c1ccccc1
InChIInChI=1S/C16H15FO/c17-12-11-15(13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeySQNVDBJNGVORDV-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-diphenylpentane-1,4-dione
CID 13184730
dimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium
CID 6947215
1,2,5,5-tetraphenylpentane-1,4-dione
CID 134096157
4,4-dimethyl-1,2-diphenylpentan-1-one
CID 78133328
4-chloro-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 123704596
2-(4-methylphenyl)-1-phenylpentan-1-one
CID 134967757
dimethyl-(3-oxo-2,3-diphenylpropyl)azanium chloride
CID 10979125
2-hydroxy-1,2-diphenylethanone
CID 159399559
ethyl 2,2-difluoro-5-oxo-4,5-diphenylpentanoate
CID 164684537
2-hydroxy-1,2-diphenylethanone;silyloxysilane
CID 173133276
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,2-diphenylbutan-1-one?
The IUPAC name of 4-fluoro-1,2-diphenylbutan-1-one (CID 174928566) is 4-fluoro-1,2-diphenylbutan-1-one.
What is the SMILES notation for 4-fluoro-1,2-diphenylbutan-1-one?
The canonical SMILES for 4-fluoro-1,2-diphenylbutan-1-one is O=C(c1ccccc1)C(CCF)c1ccccc1.
What is the InChIKey of 4-fluoro-1,2-diphenylbutan-1-one?
The InChIKey is SQNVDBJNGVORDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO/c17-12-11-15(13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14/h1-10,15H,11-12H2.
What are the key properties of 4-fluoro-1,2-diphenylbutan-1-one?
4-fluoro-1,2-diphenylbutan-1-one has a molecular weight of 242.29 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,2-diphenylbutan-1-one is sourced from PubChem (CID 174928566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).