1-phenylethenyl-bis(2,2,2-trifluoroethoxy)phosphane

C12H11F6O2P — CID 14341019

IUPAC1-phenylethenyl-bis(2,2,2-trifluoroethoxy)phosphane
SMILESC=C(c1ccccc1)P(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C12H11F6O2P/c1-9(10-5-3-2-4-6-10)21(19-7-11(13,14)15)20-8-12(16,17)18/h2-6H,1,7-8H2
InChIKeyUKPWFRSYNHUTLU-UHFFFAOYSA-N
MW332.18 g/mol
LogP5.13
Rot. Bonds6

About 1-phenylethenyl-bis(2,2,2-trifluoroethoxy)phosphane

1-phenylethenyl-bis(2,2,2-trifluoroethoxy)phosphane (PubChem CID 14341019) has the molecular formula C12H11F6O2P and a molecular weight of 332.18 g/mol. Its IUPAC name is 1-phenylethenyl-bis(2,2,2-trifluoroethoxy)phosphane.

Molecular Properties

Compound Name1-phenylethenyl-bis(2,2,2-trifluoroethoxy)phosphane
PubChem CID14341019
Molecular FormulaC12H11F6O2P
Molecular Weight332.18 g/mol
Exact Mass332.04
IUPAC Name1-phenylethenyl-bis(2,2,2-trifluoroethoxy)phosphane
SMILESC=C(c1ccccc1)P(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C12H11F6O2P/c1-9(10-5-3-2-4-6-10)21(19-7-11(13,14)15)20-8-12(16,17)18/h2-6H,1,7-8H2
InChIKeyUKPWFRSYNHUTLU-UHFFFAOYSA-N
XLogP5.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.18
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2,2-trifluoroethoxy)prop-1-en-2-ylbenzene
CID 14469488
2-phenyl-3-(2,2,2-trifluoroethoxy)but-2-enedinitrile
CID 139913049
1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine
CID 173208454
2,2,2-trifluoroethyl benzenecarboximidate
CID 102041341
dibenzyl(1-phenylethenyl)phosphane
CID 172742220
1-(1-phenylethenyl)-4-(trifluoromethyl)benzene
CID 10634268
difluoro-phenyl-(2,2,2-trifluoroethoxy)phosphanium
CID 23234580
[4-(2,2,2-trifluoroethoxy)phenyl] benzoate
CID 67206614
2,2,2-trifluoroethyl (Z)-3-amino-3-phenylprop-2-enoate
CID 102048731
2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene
CID 14221122
phenol;2,2,2-trifluoroethoxybenzene
CID 174967121
phenacyl
CID 11123355

Frequently Asked Questions

What is the IUPAC name of 1-phenylethenyl-bis(2,2,2-trifluoroethoxy)phosphane?
The IUPAC name of 1-phenylethenyl-bis(2,2,2-trifluoroethoxy)phosphane (CID 14341019) is 1-phenylethenyl-bis(2,2,2-trifluoroethoxy)phosphane.
What is the SMILES notation for 1-phenylethenyl-bis(2,2,2-trifluoroethoxy)phosphane?
The canonical SMILES for 1-phenylethenyl-bis(2,2,2-trifluoroethoxy)phosphane is C=C(c1ccccc1)P(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 1-phenylethenyl-bis(2,2,2-trifluoroethoxy)phosphane?
The InChIKey is UKPWFRSYNHUTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F6O2P/c1-9(10-5-3-2-4-6-10)21(19-7-11(13,14)15)20-8-12(16,17)18/h2-6H,1,7-8H2.
What are the key properties of 1-phenylethenyl-bis(2,2,2-trifluoroethoxy)phosphane?
1-phenylethenyl-bis(2,2,2-trifluoroethoxy)phosphane has a molecular weight of 332.18 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethenyl-bis(2,2,2-trifluoroethoxy)phosphane is sourced from PubChem (CID 14341019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).