[(Z)-3-diphenylphosphanyl-4,4-dimethylpent-2-enyl]-(2-fluorophenyl)-phenylphosphane

C31H31FP2 — CID 155476394

IUPAC[(Z)-3-diphenylphosphanyl-4,4-dimethylpent-2-enyl]-(2-fluorophenyl)-phenylphosphane
SMILESCC(C)(C)/C(=C/CP(c1ccccc1)c1ccccc1F)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H31FP2/c1-31(2,3)30(34(26-17-9-5-10-18-26)27-19-11-6-12-20-27)23-24-33(25-15-7-4-8-16-25)29-22-14-13-21-28(29)32/h4-23H,24H2,1-3H3/b30-23-
InChIKeyOVOMAOVBODOECR-WMMMYUQOSA-N
MW484.54 g/mol
LogP7.32
Rot. Bonds7

About [(Z)-3-diphenylphosphanyl-4,4-dimethylpent-2-enyl]-(2-fluorophenyl)-phenylphosphane

[(Z)-3-diphenylphosphanyl-4,4-dimethylpent-2-enyl]-(2-fluorophenyl)-phenylphosphane (PubChem CID 155476394) has the molecular formula C31H31FP2 and a molecular weight of 484.54 g/mol. Its IUPAC name is [(Z)-3-diphenylphosphanyl-4,4-dimethylpent-2-enyl]-(2-fluorophenyl)-phenylphosphane.

Molecular Properties

Compound Name[(Z)-3-diphenylphosphanyl-4,4-dimethylpent-2-enyl]-(2-fluorophenyl)-phenylphosphane
PubChem CID155476394
Molecular FormulaC31H31FP2
Molecular Weight484.54 g/mol
Exact Mass484.19
IUPAC Name[(Z)-3-diphenylphosphanyl-4,4-dimethylpent-2-enyl]-(2-fluorophenyl)-phenylphosphane
SMILESCC(C)(C)/C(=C/CP(c1ccccc1)c1ccccc1F)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H31FP2/c1-31(2,3)30(34(26-17-9-5-10-18-26)27-19-11-6-12-20-27)23-24-33(25-15-7-4-8-16-25)29-22-14-13-21-28(29)32/h4-23H,24H2,1-3H3/b30-23-
InChIKeyOVOMAOVBODOECR-WMMMYUQOSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.54
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-fluorophenyl)-phenyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane
CID 161322688
(2-fluorophenyl)-[(Z)-1-(2-fluorophenyl)-4-methylpent-2-en-3-yl]-phenylphosphane
CID 159966999
3,3-dimethylbut-1-ynyl-(2-fluorophenyl)-phenylphosphane
CID 150051409
1-[amino(phenyl)phosphanyl]-2-fluorobenzene
CID 155476393
[(Z)-3-methyl-5-phenylpent-2-enyl]-diphenylphosphane
CID 101261387
bis(diphenylphosphanylmethyl)-trimethylsilylphosphane
CID 578775
(3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane
CID 159058846
1-diphenylphosphanyl-2,2-dimethylpropan-1-one;oxophosphanium
CID 158642477
1,2-bis(diphenylphosphanylmethyl)-3,3-dimethylcyclopropane-1,2-diol
CID 18172358
2,2-dimethylpropane;triphenylphosphane
CID 143924519
1-diphenylphosphanylethane-1,1-diol
CID 151023834
3-diphenylphosphanylprop-1-en-2-ol
CID 58420868

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-diphenylphosphanyl-4,4-dimethylpent-2-enyl]-(2-fluorophenyl)-phenylphosphane?
The IUPAC name of [(Z)-3-diphenylphosphanyl-4,4-dimethylpent-2-enyl]-(2-fluorophenyl)-phenylphosphane (CID 155476394) is [(Z)-3-diphenylphosphanyl-4,4-dimethylpent-2-enyl]-(2-fluorophenyl)-phenylphosphane.
What is the SMILES notation for [(Z)-3-diphenylphosphanyl-4,4-dimethylpent-2-enyl]-(2-fluorophenyl)-phenylphosphane?
The canonical SMILES for [(Z)-3-diphenylphosphanyl-4,4-dimethylpent-2-enyl]-(2-fluorophenyl)-phenylphosphane is CC(C)(C)/C(=C/CP(c1ccccc1)c1ccccc1F)P(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-3-diphenylphosphanyl-4,4-dimethylpent-2-enyl]-(2-fluorophenyl)-phenylphosphane?
The InChIKey is OVOMAOVBODOECR-WMMMYUQOSA-N. The full InChI is InChI=1S/C31H31FP2/c1-31(2,3)30(34(26-17-9-5-10-18-26)27-19-11-6-12-20-27)23-24-33(25-15-7-4-8-16-25)29-22-14-13-21-28(29)32/h4-23H,24H2,1-3H3/b30-23-.
What are the key properties of [(Z)-3-diphenylphosphanyl-4,4-dimethylpent-2-enyl]-(2-fluorophenyl)-phenylphosphane?
[(Z)-3-diphenylphosphanyl-4,4-dimethylpent-2-enyl]-(2-fluorophenyl)-phenylphosphane has a molecular weight of 484.54 g/mol, XLogP of 7.32, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-diphenylphosphanyl-4,4-dimethylpent-2-enyl]-(2-fluorophenyl)-phenylphosphane is sourced from PubChem (CID 155476394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).