1-(3,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one

C15H9F5O — CID 24726642

IUPAC1-(3,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one
SMILESO=C(CCc1cc(F)c(F)c(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H9F5O/c16-10-3-2-9(7-11(10)17)14(21)4-1-8-5-12(18)15(20)13(19)6-8/h2-3,5-7H,1,4H2
InChIKeyRFAVYQVFLWISJY-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.20
Rot. Bonds4

About 1-(3,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one

1-(3,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one (PubChem CID 24726642) has the molecular formula C15H9F5O and a molecular weight of 300.23 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one
PubChem CID24726642
Molecular FormulaC15H9F5O
Molecular Weight300.23 g/mol
Exact Mass300.06
IUPAC Name1-(3,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one
SMILESO=C(CCc1cc(F)c(F)c(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H9F5O/c16-10-3-2-9(7-11(10)17)14(21)4-1-8-5-12(18)15(20)13(19)6-8/h2-3,5-7H,1,4H2
InChIKeyRFAVYQVFLWISJY-UHFFFAOYSA-N
XLogP4.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(3,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one (CID 24726642) is 1-(3,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one is O=C(CCc1cc(F)c(F)c(F)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one?
The InChIKey is RFAVYQVFLWISJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5O/c16-10-3-2-9(7-11(10)17)14(21)4-1-8-5-12(18)15(20)13(19)6-8/h2-3,5-7H,1,4H2.
What are the key properties of 1-(3,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one?
1-(3,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one has a molecular weight of 300.23 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one is sourced from PubChem (CID 24726642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).