1-[4-(2-fluorophenyl)phenyl]-3-methylbutan-2-one

C17H17FO — CID 82541250

IUPAC1-[4-(2-fluorophenyl)phenyl]-3-methylbutan-2-one
SMILESCC(C)C(=O)Cc1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C17H17FO/c1-12(2)17(19)11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)18/h3-10,12H,11H2,1-2H3
InChIKeyGGDLYKDHIZUMDM-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.26
Rot. Bonds4

About 1-[4-(2-fluorophenyl)phenyl]-3-methylbutan-2-one

1-[4-(2-fluorophenyl)phenyl]-3-methylbutan-2-one (PubChem CID 82541250) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)phenyl]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)phenyl]-3-methylbutan-2-one
PubChem CID82541250
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name1-[4-(2-fluorophenyl)phenyl]-3-methylbutan-2-one
SMILESCC(C)C(=O)Cc1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C17H17FO/c1-12(2)17(19)11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)18/h3-10,12H,11H2,1-2H3
InChIKeyGGDLYKDHIZUMDM-UHFFFAOYSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)phenyl]-3-methylbutan-2-one?
The IUPAC name of 1-[4-(2-fluorophenyl)phenyl]-3-methylbutan-2-one (CID 82541250) is 1-[4-(2-fluorophenyl)phenyl]-3-methylbutan-2-one.
What is the SMILES notation for 1-[4-(2-fluorophenyl)phenyl]-3-methylbutan-2-one?
The canonical SMILES for 1-[4-(2-fluorophenyl)phenyl]-3-methylbutan-2-one is CC(C)C(=O)Cc1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 1-[4-(2-fluorophenyl)phenyl]-3-methylbutan-2-one?
The InChIKey is GGDLYKDHIZUMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c1-12(2)17(19)11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)18/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-[4-(2-fluorophenyl)phenyl]-3-methylbutan-2-one?
1-[4-(2-fluorophenyl)phenyl]-3-methylbutan-2-one has a molecular weight of 256.32 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)phenyl]-3-methylbutan-2-one is sourced from PubChem (CID 82541250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).