(2-fluorophenyl)-phenyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane

C19H22FP — CID 161322688

IUPAC(2-fluorophenyl)-phenyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane
SMILESC/C(=C\P(c1ccccc1)c1ccccc1F)C(C)(C)C
InChIInChI=1S/C19H22FP/c1-15(19(2,3)4)14-21(16-10-6-5-7-11-16)18-13-9-8-12-17(18)20/h5-14H,1-4H3/b15-14+
InChIKeyXXRKIWNFICBTBZ-CCEZHUSRSA-N
MW300.36 g/mol
LogP5.21
Rot. Bonds3

About (2-fluorophenyl)-phenyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane

(2-fluorophenyl)-phenyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane (PubChem CID 161322688) has the molecular formula C19H22FP and a molecular weight of 300.36 g/mol. Its IUPAC name is (2-fluorophenyl)-phenyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane.

Molecular Properties

Compound Name(2-fluorophenyl)-phenyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane
PubChem CID161322688
Molecular FormulaC19H22FP
Molecular Weight300.36 g/mol
Exact Mass300.14
IUPAC Name(2-fluorophenyl)-phenyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane
SMILESC/C(=C\P(c1ccccc1)c1ccccc1F)C(C)(C)C
InChIInChI=1S/C19H22FP/c1-15(19(2,3)4)14-21(16-10-6-5-7-11-16)18-13-9-8-12-17(18)20/h5-14H,1-4H3/b15-14+
InChIKeyXXRKIWNFICBTBZ-CCEZHUSRSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.21
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

[(Z)-3-diphenylphosphanyl-4,4-dimethylpent-2-enyl]-(2-fluorophenyl)-phenylphosphane
CID 155476394
3,3-dimethylbut-1-ynyl-(2-fluorophenyl)-phenylphosphane
CID 150051409
1-[amino(phenyl)phosphanyl]-2-fluorobenzene
CID 155476393
[(1E,3E)-2-tert-butyl-5,5-dimethylhexa-1,3-dienyl]-diphenylphosphane
CID 102241788
1-diphenylphosphanylethane-1,1-diol
CID 151023834
(2-fluorophenyl)-[(Z)-1-(2-fluorophenyl)-4-methylpent-2-en-3-yl]-phenylphosphane
CID 159966999
chloro-(2-fluorophenyl)-phenylphosphane;(2-fluorophenyl)-phenylphosphane
CID 159834290
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
2,2-dimethylpropane;triphenylphosphane
CID 143924519
1-(2-fluorophenyl)-2-methyl-2-phenylpropan-1-ol
CID 55180552
(E)-2-diphenylphosphanyl-1-ethoxyethenol
CID 10896511
sodium;2-(2-fluorophenyl)-2-methylpropanoic acid;hydride
CID 173208060

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-phenyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane?
The IUPAC name of (2-fluorophenyl)-phenyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane (CID 161322688) is (2-fluorophenyl)-phenyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane.
What is the SMILES notation for (2-fluorophenyl)-phenyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane?
The canonical SMILES for (2-fluorophenyl)-phenyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane is C/C(=C\P(c1ccccc1)c1ccccc1F)C(C)(C)C.
What is the InChIKey of (2-fluorophenyl)-phenyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane?
The InChIKey is XXRKIWNFICBTBZ-CCEZHUSRSA-N. The full InChI is InChI=1S/C19H22FP/c1-15(19(2,3)4)14-21(16-10-6-5-7-11-16)18-13-9-8-12-17(18)20/h5-14H,1-4H3/b15-14+.
What are the key properties of (2-fluorophenyl)-phenyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane?
(2-fluorophenyl)-phenyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane has a molecular weight of 300.36 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-phenyl-[(E)-2,3,3-trimethylbut-1-enyl]phosphane is sourced from PubChem (CID 161322688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).