ethyl-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phosphane

C16H5F14P — CID 88850684

IUPACethyl-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phosphane
SMILESCCP(c1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C16H5F14P/c1-2-31(13-9(21)5(17)3(15(25,26)27)6(18)10(13)22)14-11(23)7(19)4(16(28,29)30)8(20)12(14)24/h2H2,1H3
InChIKeyLXDSBWSXBSUVQR-UHFFFAOYSA-N
MW494.16 g/mol
LogP6.29
Rot. Bonds3

About ethyl-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phosphane

ethyl-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phosphane (PubChem CID 88850684) has the molecular formula C16H5F14P and a molecular weight of 494.16 g/mol. Its IUPAC name is ethyl-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phosphane.

Molecular Properties

Compound Nameethyl-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phosphane
PubChem CID88850684
Molecular FormulaC16H5F14P
Molecular Weight494.16 g/mol
Exact Mass493.99
IUPAC Nameethyl-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phosphane
SMILESCCP(c1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C16H5F14P/c1-2-31(13-9(21)5(17)3(15(25,26)27)6(18)10(13)22)14-11(23)7(19)4(16(28,29)30)8(20)12(14)24/h2H2,1H3
InChIKeyLXDSBWSXBSUVQR-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.16
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Benzene, 1,1'-(1,2-ethanediyl)bis[2,3,4,5,6-pentafluoro-
CID 356556
[4-(4-Dimethylphosphinothioyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethyl-sulfanylidene-lambda5-phosphane
CID 11179146
1-[Difluoro(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]-2,3,5,6-tetrafluoro-4-methylbenzene
CID 4408436
1,2,3,4,5-Pentafluoro-6-[1,1,1,6,6,6-hexafluoro-5-(2,3,4,5,6-pentafluorophenyl)hexa-2,3,4-trien-2-yl]benzene
CID 10324378
[2-Ethyl-1-(2,3,4,5,6-pentafluorophenyl)but-1-enyl]-fluoro-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-tri(propan-2-yl)phosphaniumylphenyl]boranuide
CID 139107507
Tris[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phosphane
CID 297581
[4-(4-Dimethylphosphanyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorophenyl]-dimethylphosphane
CID 11486896
Dimethyl-sulfanylidene-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-lambda5-phosphane
CID 12095391
Methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methylidene]-lambda5-phosphane
CID 12866561
(2,3,4,5,6-Pentafluorophenyl)methylidene-tri(propan-2-yl)-lambda5-phosphane
CID 12866565
1,2,3,4,5-pentafluoro-6-[(E)-1,1,1,4,4,4-hexafluoro-3-(2,3,4,5,6-pentafluorophenyl)but-2-en-2-yl]benzene
CID 14945428
1,2,3,4,5-Pentafluoro-6-[7-(2,3,4,5,6-pentafluorophenyl)hepta-1,6-diynyl]benzene
CID 85829943

Frequently Asked Questions

What is the IUPAC name of ethyl-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phosphane?
The IUPAC name of ethyl-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phosphane (CID 88850684) is ethyl-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phosphane.
What is the SMILES notation for ethyl-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phosphane?
The canonical SMILES for ethyl-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phosphane is CCP(c1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F.
What is the InChIKey of ethyl-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phosphane?
The InChIKey is LXDSBWSXBSUVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H5F14P/c1-2-31(13-9(21)5(17)3(15(25,26)27)6(18)10(13)22)14-11(23)7(19)4(16(28,29)30)8(20)12(14)24/h2H2,1H3.
What are the key properties of ethyl-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phosphane?
ethyl-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phosphane has a molecular weight of 494.16 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phosphane is sourced from PubChem (CID 88850684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).