(4-phenylphenyl)-(3,4,5-trifluorophenyl)methanone

C19H11F3O — CID 146008045

IUPAC(4-phenylphenyl)-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C19H11F3O/c20-16-10-15(11-17(21)18(16)22)19(23)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H
InChIKeyBOLURDCZUGYHEP-UHFFFAOYSA-N
MW312.29 g/mol
LogP5.00
Rot. Bonds3

About (4-phenylphenyl)-(3,4,5-trifluorophenyl)methanone

(4-phenylphenyl)-(3,4,5-trifluorophenyl)methanone (PubChem CID 146008045) has the molecular formula C19H11F3O and a molecular weight of 312.29 g/mol. Its IUPAC name is (4-phenylphenyl)-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(4-phenylphenyl)-(3,4,5-trifluorophenyl)methanone
PubChem CID146008045
Molecular FormulaC19H11F3O
Molecular Weight312.29 g/mol
Exact Mass312.08
IUPAC Name(4-phenylphenyl)-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C19H11F3O/c20-16-10-15(11-17(21)18(16)22)19(23)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H
InChIKeyBOLURDCZUGYHEP-UHFFFAOYSA-N
XLogP5.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.29
LogP ≤ 55.00
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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Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of (4-phenylphenyl)-(3,4,5-trifluorophenyl)methanone (CID 146008045) is (4-phenylphenyl)-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (4-phenylphenyl)-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for (4-phenylphenyl)-(3,4,5-trifluorophenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of (4-phenylphenyl)-(3,4,5-trifluorophenyl)methanone?
The InChIKey is BOLURDCZUGYHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3O/c20-16-10-15(11-17(21)18(16)22)19(23)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H.
What are the key properties of (4-phenylphenyl)-(3,4,5-trifluorophenyl)methanone?
(4-phenylphenyl)-(3,4,5-trifluorophenyl)methanone has a molecular weight of 312.29 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 146008045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).