4-[3-(3,5-difluorophenyl)phenyl]butan-2-one

C16H14F2O — CID 82541152

IUPAC4-[3-(3,5-difluorophenyl)phenyl]butan-2-one
SMILESCC(=O)CCc1cccc(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C16H14F2O/c1-11(19)5-6-12-3-2-4-13(7-12)14-8-15(17)10-16(18)9-14/h2-4,7-10H,5-6H2,1H3
InChIKeyMENBWZWCGVMBHK-UHFFFAOYSA-N
MW260.28 g/mol
LogP4.15
Rot. Bonds4

About 4-[3-(3,5-difluorophenyl)phenyl]butan-2-one

4-[3-(3,5-difluorophenyl)phenyl]butan-2-one (PubChem CID 82541152) has the molecular formula C16H14F2O and a molecular weight of 260.28 g/mol. Its IUPAC name is 4-[3-(3,5-difluorophenyl)phenyl]butan-2-one.

Molecular Properties

Compound Name4-[3-(3,5-difluorophenyl)phenyl]butan-2-one
PubChem CID82541152
Molecular FormulaC16H14F2O
Molecular Weight260.28 g/mol
Exact Mass260.10
IUPAC Name4-[3-(3,5-difluorophenyl)phenyl]butan-2-one
SMILESCC(=O)CCc1cccc(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C16H14F2O/c1-11(19)5-6-12-3-2-4-13(7-12)14-8-15(17)10-16(18)9-14/h2-4,7-10H,5-6H2,1H3
InChIKeyMENBWZWCGVMBHK-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-[3-[amino(hydroxy)methyl]phenyl]phenyl]butan-2-one
CID 82541862
4-[3-(4-butoxyphenyl)phenyl]butan-2-one
CID 167259415
4-[3-[2-(trifluoromethyl)phenyl]phenyl]butan-2-one
CID 82540770
4-[3-(2,3-dichlorophenyl)phenyl]butan-2-one
CID 82540744
N-[[3-(3,5-difluorophenyl)phenyl]methyl]ethanamine
CID 54911880
4-(3-quinolin-6-ylphenyl)butan-2-one
CID 82540933
3-(3-oxobutyl)benzaldehyde
CID 11137650
4-[3-(2-methylpropyl)phenyl]butan-2-one
CID 116545690
4-(3-propan-2-ylphenyl)butan-2-one
CID 129128469
4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one
CID 82541048
(E)-3-methyl-5-[3-(4-methylphenyl)phenyl]pent-2-enoic acid
CID 82544146
1-(3-methylbut-3-enyl)-3-phenylbenzene
CID 143843043

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-difluorophenyl)phenyl]butan-2-one?
The IUPAC name of 4-[3-(3,5-difluorophenyl)phenyl]butan-2-one (CID 82541152) is 4-[3-(3,5-difluorophenyl)phenyl]butan-2-one.
What is the SMILES notation for 4-[3-(3,5-difluorophenyl)phenyl]butan-2-one?
The canonical SMILES for 4-[3-(3,5-difluorophenyl)phenyl]butan-2-one is CC(=O)CCc1cccc(-c2cc(F)cc(F)c2)c1.
What is the InChIKey of 4-[3-(3,5-difluorophenyl)phenyl]butan-2-one?
The InChIKey is MENBWZWCGVMBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O/c1-11(19)5-6-12-3-2-4-13(7-12)14-8-15(17)10-16(18)9-14/h2-4,7-10H,5-6H2,1H3.
What are the key properties of 4-[3-(3,5-difluorophenyl)phenyl]butan-2-one?
4-[3-(3,5-difluorophenyl)phenyl]butan-2-one has a molecular weight of 260.28 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-difluorophenyl)phenyl]butan-2-one is sourced from PubChem (CID 82541152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).