1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)propan-1-one

C16H10F6O — CID 24726630

IUPAC1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)propan-1-one
SMILESO=C(CCc1cc(F)c(F)c(F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H10F6O/c17-12-6-9(7-13(18)15(12)19)4-5-14(23)10-2-1-3-11(8-10)16(20,21)22/h1-3,6-8H,4-5H2
InChIKeyWEFXBLXXAGWBPO-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.94
Rot. Bonds4

About 1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)propan-1-one

1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)propan-1-one (PubChem CID 24726630) has the molecular formula C16H10F6O and a molecular weight of 332.24 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)propan-1-one
PubChem CID24726630
Molecular FormulaC16H10F6O
Molecular Weight332.24 g/mol
Exact Mass332.06
IUPAC Name1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)propan-1-one
SMILESO=C(CCc1cc(F)c(F)c(F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H10F6O/c17-12-6-9(7-13(18)15(12)19)4-5-14(23)10-2-1-3-11(8-10)16(20,21)22/h1-3,6-8H,4-5H2
InChIKeyWEFXBLXXAGWBPO-UHFFFAOYSA-N
XLogP4.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)propan-1-one
CID 24726631
3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725694
1-(3,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one
CID 24726642
3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 11000484
3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725641
2-iodo-1-[3-(trifluoromethyl)phenyl]ethanone
CID 22137990
2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 60798946
2-methylhexane;1-[3-(trifluoromethyl)phenyl]butan-1-one
CID 142809248
(3-bromo-2,6-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 106941639
1-(4-ethylphenyl)-3-[3-(trifluoromethyl)phenyl]propane-1,3-dione
CID 22947144
1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116548555
1-(2,3-dihydro-1,4-benzodithiin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione
CID 78323532

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)propan-1-one?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)propan-1-one (CID 24726630) is 1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)propan-1-one.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)propan-1-one?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)propan-1-one is O=C(CCc1cc(F)c(F)c(F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)propan-1-one?
The InChIKey is WEFXBLXXAGWBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6O/c17-12-6-9(7-13(18)15(12)19)4-5-14(23)10-2-1-3-11(8-10)16(20,21)22/h1-3,6-8H,4-5H2.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)propan-1-one?
1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)propan-1-one has a molecular weight of 332.24 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)propan-1-one is sourced from PubChem (CID 24726630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).