triphenyl-[2-[4-(trifluoromethoxy)phenyl]ethylidene]-λ5-phosphane

C27H22F3OP — CID 174781016

IUPACtriphenyl-[2-[4-(trifluoromethoxy)phenyl]ethylidene]-λ5-phosphane
SMILESFC(F)(F)Oc1ccc(CC=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H22F3OP/c28-27(29,30)31-23-18-16-22(17-19-23)20-21-32(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19,21H,20H2
InChIKeyNZROCAPEVFHZTF-UHFFFAOYSA-N
MW450.44 g/mol
LogP5.92
Rot. Bonds6

About triphenyl-[2-[4-(trifluoromethoxy)phenyl]ethylidene]-λ5-phosphane

triphenyl-[2-[4-(trifluoromethoxy)phenyl]ethylidene]-λ5-phosphane (PubChem CID 174781016) has the molecular formula C27H22F3OP and a molecular weight of 450.44 g/mol. Its IUPAC name is triphenyl-[2-[4-(trifluoromethoxy)phenyl]ethylidene]-λ5-phosphane.

Molecular Properties

Compound Nametriphenyl-[2-[4-(trifluoromethoxy)phenyl]ethylidene]-λ5-phosphane
PubChem CID174781016
Molecular FormulaC27H22F3OP
Molecular Weight450.44 g/mol
Exact Mass450.14
IUPAC Nametriphenyl-[2-[4-(trifluoromethoxy)phenyl]ethylidene]-λ5-phosphane
SMILESFC(F)(F)Oc1ccc(CC=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H22F3OP/c28-27(29,30)31-23-18-16-22(17-19-23)20-21-32(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19,21H,20H2
InChIKeyNZROCAPEVFHZTF-UHFFFAOYSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.44
LogP ≤ 55.92
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

1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
2-[4-(trifluoromethoxy)phenyl]ethanethial
CID 144868066
trifluoromethoxybenzene
CID 157402708
trifluoromethoxybenzene fluoride
CID 158305019
triphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium
CID 10673816
1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 62608696
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene
CID 138115533
triphenyl-[[4-(trifluoromethoxy)phenyl]methyl]phosphanium bromide
CID 22407658
1-bromo-4-(trifluoromethoxy)benzene;trifluoromethoxybenzene
CID 157398822
isothiocyanic acid;trifluoromethoxybenzene
CID 175112094
2-[[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 67458560

Frequently Asked Questions

What is the IUPAC name of triphenyl-[2-[4-(trifluoromethoxy)phenyl]ethylidene]-λ5-phosphane?
The IUPAC name of triphenyl-[2-[4-(trifluoromethoxy)phenyl]ethylidene]-λ5-phosphane (CID 174781016) is triphenyl-[2-[4-(trifluoromethoxy)phenyl]ethylidene]-λ5-phosphane.
What is the SMILES notation for triphenyl-[2-[4-(trifluoromethoxy)phenyl]ethylidene]-λ5-phosphane?
The canonical SMILES for triphenyl-[2-[4-(trifluoromethoxy)phenyl]ethylidene]-λ5-phosphane is FC(F)(F)Oc1ccc(CC=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-[2-[4-(trifluoromethoxy)phenyl]ethylidene]-λ5-phosphane?
The InChIKey is NZROCAPEVFHZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3OP/c28-27(29,30)31-23-18-16-22(17-19-23)20-21-32(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19,21H,20H2.
What are the key properties of triphenyl-[2-[4-(trifluoromethoxy)phenyl]ethylidene]-λ5-phosphane?
triphenyl-[2-[4-(trifluoromethoxy)phenyl]ethylidene]-λ5-phosphane has a molecular weight of 450.44 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[2-[4-(trifluoromethoxy)phenyl]ethylidene]-λ5-phosphane is sourced from PubChem (CID 174781016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).