6-[phenyl-[4-(trifluoromethyl)phenyl]phosphanyl]cyclohexa-2,4-dien-1-one

C19H14F3OP — CID 150762300

IUPAC6-[phenyl-[4-(trifluoromethyl)phenyl]phosphanyl]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1P(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F3OP/c20-19(21,22)14-10-12-16(13-11-14)24(15-6-2-1-3-7-15)18-9-5-4-8-17(18)23/h1-13,18H
InChIKeyJYBZNSQTNTZGJJ-UHFFFAOYSA-N
MW346.29 g/mol
LogP4.20
Rot. Bonds3

About 6-[phenyl-[4-(trifluoromethyl)phenyl]phosphanyl]cyclohexa-2,4-dien-1-one

6-[phenyl-[4-(trifluoromethyl)phenyl]phosphanyl]cyclohexa-2,4-dien-1-one (PubChem CID 150762300) has the molecular formula C19H14F3OP and a molecular weight of 346.29 g/mol. Its IUPAC name is 6-[phenyl-[4-(trifluoromethyl)phenyl]phosphanyl]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-[phenyl-[4-(trifluoromethyl)phenyl]phosphanyl]cyclohexa-2,4-dien-1-one
PubChem CID150762300
Molecular FormulaC19H14F3OP
Molecular Weight346.29 g/mol
Exact Mass346.07
IUPAC Name6-[phenyl-[4-(trifluoromethyl)phenyl]phosphanyl]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1P(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F3OP/c20-19(21,22)14-10-12-16(13-11-14)24(15-6-2-1-3-7-15)18-9-5-4-8-17(18)23/h1-13,18H
InChIKeyJYBZNSQTNTZGJJ-UHFFFAOYSA-N
XLogP4.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis[4-(trifluoromethyl)phenyl]phosphanylmethyl-bis[4-(trifluoromethyl)phenyl]phosphane
CID 90169485
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
2,2,3,3,3-pentafluoro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 162511318
ethane;bis(trifluoromethylbenzene)
CID 142912000
[(1S,4R,7S)-2-phenyl-7-bicyclo[2.2.1]hept-2-enyl]-bis[4-(trifluoromethyl)phenyl]phosphane
CID 102469659
iodo-bis[4-(trifluoromethyl)phenyl]phosphane
CID 134344295
1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene
CID 154308793
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
(2,3-dimethylphenyl)-bis[4-(trifluoromethyl)phenyl]phosphane
CID 151512986
1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one
CID 16719924
diphenyl-[4-(trifluoromethyl)phenyl]methanol
CID 569997

Frequently Asked Questions

What is the IUPAC name of 6-[phenyl-[4-(trifluoromethyl)phenyl]phosphanyl]cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-[phenyl-[4-(trifluoromethyl)phenyl]phosphanyl]cyclohexa-2,4-dien-1-one (CID 150762300) is 6-[phenyl-[4-(trifluoromethyl)phenyl]phosphanyl]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-[phenyl-[4-(trifluoromethyl)phenyl]phosphanyl]cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-[phenyl-[4-(trifluoromethyl)phenyl]phosphanyl]cyclohexa-2,4-dien-1-one is O=C1C=CC=CC1P(c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-[phenyl-[4-(trifluoromethyl)phenyl]phosphanyl]cyclohexa-2,4-dien-1-one?
The InChIKey is JYBZNSQTNTZGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3OP/c20-19(21,22)14-10-12-16(13-11-14)24(15-6-2-1-3-7-15)18-9-5-4-8-17(18)23/h1-13,18H.
What are the key properties of 6-[phenyl-[4-(trifluoromethyl)phenyl]phosphanyl]cyclohexa-2,4-dien-1-one?
6-[phenyl-[4-(trifluoromethyl)phenyl]phosphanyl]cyclohexa-2,4-dien-1-one has a molecular weight of 346.29 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[phenyl-[4-(trifluoromethyl)phenyl]phosphanyl]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 150762300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).