1-(3,4-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one

C16H11F5O — CID 69041331

IUPAC1-(3,4-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one
SMILESCC(=O)C(c1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H11F5O/c1-9(22)15(11-4-7-13(17)14(18)8-11)10-2-5-12(6-3-10)16(19,20)21/h2-8,15H,1H3
InChIKeySZKMXOOBKCGMNW-UHFFFAOYSA-N
MW314.25 g/mol
LogP4.70
Rot. Bonds3

About 1-(3,4-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one

1-(3,4-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 69041331) has the molecular formula C16H11F5O and a molecular weight of 314.25 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one
PubChem CID69041331
Molecular FormulaC16H11F5O
Molecular Weight314.25 g/mol
Exact Mass314.07
IUPAC Name1-(3,4-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one
SMILESCC(=O)C(c1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H11F5O/c1-9(22)15(11-4-7-13(17)14(18)8-11)10-2-5-12(6-3-10)16(19,20)21/h2-8,15H,1H3
InChIKeySZKMXOOBKCGMNW-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-(3,4-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one (CID 69041331) is 1-(3,4-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one is CC(=O)C(c1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is SZKMXOOBKCGMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5O/c1-9(22)15(11-4-7-13(17)14(18)8-11)10-2-5-12(6-3-10)16(19,20)21/h2-8,15H,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one?
1-(3,4-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 314.25 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 69041331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).