4-[3-[2-(trifluoromethyl)phenyl]phenyl]butan-2-one

C17H15F3O — CID 82540770

IUPAC4-[3-[2-(trifluoromethyl)phenyl]phenyl]butan-2-one
SMILESCC(=O)CCc1cccc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H15F3O/c1-12(21)9-10-13-5-4-6-14(11-13)15-7-2-3-8-16(15)17(18,19)20/h2-8,11H,9-10H2,1H3
InChIKeyVJTQYPIKMKRUHX-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.89
Rot. Bonds4

About 4-[3-[2-(trifluoromethyl)phenyl]phenyl]butan-2-one

4-[3-[2-(trifluoromethyl)phenyl]phenyl]butan-2-one (PubChem CID 82540770) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-[3-[2-(trifluoromethyl)phenyl]phenyl]butan-2-one.

Molecular Properties

Compound Name4-[3-[2-(trifluoromethyl)phenyl]phenyl]butan-2-one
PubChem CID82540770
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name4-[3-[2-(trifluoromethyl)phenyl]phenyl]butan-2-one
SMILESCC(=O)CCc1cccc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H15F3O/c1-12(21)9-10-13-5-4-6-14(11-13)15-7-2-3-8-16(15)17(18,19)20/h2-8,11H,9-10H2,1H3
InChIKeyVJTQYPIKMKRUHX-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(trifluoromethyl)phenyl]phenyl]butan-2-one?
The IUPAC name of 4-[3-[2-(trifluoromethyl)phenyl]phenyl]butan-2-one (CID 82540770) is 4-[3-[2-(trifluoromethyl)phenyl]phenyl]butan-2-one.
What is the SMILES notation for 4-[3-[2-(trifluoromethyl)phenyl]phenyl]butan-2-one?
The canonical SMILES for 4-[3-[2-(trifluoromethyl)phenyl]phenyl]butan-2-one is CC(=O)CCc1cccc(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 4-[3-[2-(trifluoromethyl)phenyl]phenyl]butan-2-one?
The InChIKey is VJTQYPIKMKRUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c1-12(21)9-10-13-5-4-6-14(11-13)15-7-2-3-8-16(15)17(18,19)20/h2-8,11H,9-10H2,1H3.
What are the key properties of 4-[3-[2-(trifluoromethyl)phenyl]phenyl]butan-2-one?
4-[3-[2-(trifluoromethyl)phenyl]phenyl]butan-2-one has a molecular weight of 292.30 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(trifluoromethyl)phenyl]phenyl]butan-2-one is sourced from PubChem (CID 82540770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).