phenyl-(2,3,4,5-tetrafluoro-6-phenylphenyl)methanone

C19H10F4O — CID 12753960

IUPACphenyl-(2,3,4,5-tetrafluoro-6-phenylphenyl)methanone
SMILESO=C(c1ccccc1)c1c(F)c(F)c(F)c(F)c1-c1ccccc1
InChIInChI=1S/C19H10F4O/c20-15-13(11-7-3-1-4-8-11)14(16(21)18(23)17(15)22)19(24)12-9-5-2-6-10-12/h1-10H
InChIKeyJIFLTMPARKVSLP-UHFFFAOYSA-N
MW330.28 g/mol
LogP5.14
Rot. Bonds3

About phenyl-(2,3,4,5-tetrafluoro-6-phenylphenyl)methanone

phenyl-(2,3,4,5-tetrafluoro-6-phenylphenyl)methanone (PubChem CID 12753960) has the molecular formula C19H10F4O and a molecular weight of 330.28 g/mol. Its IUPAC name is phenyl-(2,3,4,5-tetrafluoro-6-phenylphenyl)methanone.

Molecular Properties

Compound Namephenyl-(2,3,4,5-tetrafluoro-6-phenylphenyl)methanone
PubChem CID12753960
Molecular FormulaC19H10F4O
Molecular Weight330.28 g/mol
Exact Mass330.07
IUPAC Namephenyl-(2,3,4,5-tetrafluoro-6-phenylphenyl)methanone
SMILESO=C(c1ccccc1)c1c(F)c(F)c(F)c(F)c1-c1ccccc1
InChIInChI=1S/C19H10F4O/c20-15-13(11-7-3-1-4-8-11)14(16(21)18(23)17(15)22)19(24)12-9-5-2-6-10-12/h1-10H
InChIKeyJIFLTMPARKVSLP-UHFFFAOYSA-N
XLogP5.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.28
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl-(2,3,4,5-tetrafluoro-6-phenylphenyl)methanone?
The IUPAC name of phenyl-(2,3,4,5-tetrafluoro-6-phenylphenyl)methanone (CID 12753960) is phenyl-(2,3,4,5-tetrafluoro-6-phenylphenyl)methanone.
What is the SMILES notation for phenyl-(2,3,4,5-tetrafluoro-6-phenylphenyl)methanone?
The canonical SMILES for phenyl-(2,3,4,5-tetrafluoro-6-phenylphenyl)methanone is O=C(c1ccccc1)c1c(F)c(F)c(F)c(F)c1-c1ccccc1.
What is the InChIKey of phenyl-(2,3,4,5-tetrafluoro-6-phenylphenyl)methanone?
The InChIKey is JIFLTMPARKVSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F4O/c20-15-13(11-7-3-1-4-8-11)14(16(21)18(23)17(15)22)19(24)12-9-5-2-6-10-12/h1-10H.
What are the key properties of phenyl-(2,3,4,5-tetrafluoro-6-phenylphenyl)methanone?
phenyl-(2,3,4,5-tetrafluoro-6-phenylphenyl)methanone has a molecular weight of 330.28 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2,3,4,5-tetrafluoro-6-phenylphenyl)methanone is sourced from PubChem (CID 12753960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).