ethyl-(2,3,4,5,6,9-hexafluorononyl)-(2,3,4,5-tetrafluorophenyl)phosphane

C17H19F10P — CID 23123071

IUPACethyl-(2,3,4,5,6,9-hexafluorononyl)-(2,3,4,5-tetrafluorophenyl)phosphane
SMILESCCP(CC(F)C(F)C(F)C(F)C(F)CCCF)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C17H19F10P/c1-2-28(11-6-9(20)13(23)17(27)15(11)25)7-10(21)14(24)16(26)12(22)8(19)4-3-5-18/h6,8,10,12,14,16H,2-5,7H2,1H3
InChIKeyXOAOHLQLWWTEDB-UHFFFAOYSA-N
MW444.29 g/mol
LogP5.81
Rot. Bonds11

About ethyl-(2,3,4,5,6,9-hexafluorononyl)-(2,3,4,5-tetrafluorophenyl)phosphane

ethyl-(2,3,4,5,6,9-hexafluorononyl)-(2,3,4,5-tetrafluorophenyl)phosphane (PubChem CID 23123071) has the molecular formula C17H19F10P and a molecular weight of 444.29 g/mol. Its IUPAC name is ethyl-(2,3,4,5,6,9-hexafluorononyl)-(2,3,4,5-tetrafluorophenyl)phosphane.

Molecular Properties

Compound Nameethyl-(2,3,4,5,6,9-hexafluorononyl)-(2,3,4,5-tetrafluorophenyl)phosphane
PubChem CID23123071
Molecular FormulaC17H19F10P
Molecular Weight444.29 g/mol
Exact Mass444.11
IUPAC Nameethyl-(2,3,4,5,6,9-hexafluorononyl)-(2,3,4,5-tetrafluorophenyl)phosphane
SMILESCCP(CC(F)C(F)C(F)C(F)C(F)CCCF)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C17H19F10P/c1-2-28(11-6-9(20)13(23)17(27)15(11)25)7-10(21)14(24)16(26)12(22)8(19)4-3-5-18/h6,8,10,12,14,16H,2-5,7H2,1H3
InChIKeyXOAOHLQLWWTEDB-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.29
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5,6,9-hexafluorononyl-(2-methylpentyl)-(2,3,4,5-tetrafluorophenyl)phosphane
CID 23123231
2,3,4,5,6,9-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphanium
CID 23123622
barium(2+);1,1,2,3,4,5,8-heptafluorooctane;hydride
CID 173311743
2,5-difluoro-N-(fluoromethyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline
CID 23123274
1-(1,6-difluorohexyl)-2,3,4,5-tetrafluorobenzene
CID 90872484
2,3,4,5,6,7,8,9,12-nonafluorododecane-1-sulfonate;tetraethylazanium
CID 134206846
1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene
CID 91063618
N-(3-ethylheptyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline
CID 23123344
1,2,3,4-tetrafluoro-5-[(2,3,4,5-tetrafluorophenyl)disulfanyl]benzene
CID 87179367
1,2,3,4,5,10-hexafluorodecan-1-ol
CID 166745270
1-(2,3,4,6-tetrafluorophenyl)propan-1-ol
CID 139965748
1,1,1,2,3,4,5,6,7,8-decafluorododecane
CID 162611334

Frequently Asked Questions

What is the IUPAC name of ethyl-(2,3,4,5,6,9-hexafluorononyl)-(2,3,4,5-tetrafluorophenyl)phosphane?
The IUPAC name of ethyl-(2,3,4,5,6,9-hexafluorononyl)-(2,3,4,5-tetrafluorophenyl)phosphane (CID 23123071) is ethyl-(2,3,4,5,6,9-hexafluorononyl)-(2,3,4,5-tetrafluorophenyl)phosphane.
What is the SMILES notation for ethyl-(2,3,4,5,6,9-hexafluorononyl)-(2,3,4,5-tetrafluorophenyl)phosphane?
The canonical SMILES for ethyl-(2,3,4,5,6,9-hexafluorononyl)-(2,3,4,5-tetrafluorophenyl)phosphane is CCP(CC(F)C(F)C(F)C(F)C(F)CCCF)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of ethyl-(2,3,4,5,6,9-hexafluorononyl)-(2,3,4,5-tetrafluorophenyl)phosphane?
The InChIKey is XOAOHLQLWWTEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F10P/c1-2-28(11-6-9(20)13(23)17(27)15(11)25)7-10(21)14(24)16(26)12(22)8(19)4-3-5-18/h6,8,10,12,14,16H,2-5,7H2,1H3.
What are the key properties of ethyl-(2,3,4,5,6,9-hexafluorononyl)-(2,3,4,5-tetrafluorophenyl)phosphane?
ethyl-(2,3,4,5,6,9-hexafluorononyl)-(2,3,4,5-tetrafluorophenyl)phosphane has a molecular weight of 444.29 g/mol, XLogP of 5.81, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(2,3,4,5,6,9-hexafluorononyl)-(2,3,4,5-tetrafluorophenyl)phosphane is sourced from PubChem (CID 23123071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).