1,1,2,2,3,3-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphane

C17H13F16P — CID 22637718

IUPAC1,1,2,2,3,3-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphane
SMILESCCCCCCC(F)(F)C(F)(F)C(F)(F)P(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H13F16P/c1-2-3-4-5-6-13(23,24)14(25,26)16(30,31)34(17(32,33)15(27,28)29)12-10(21)8(19)7(18)9(20)11(12)22/h2-6H2,1H3
InChIKeyOXTVBXXZLHWWJS-UHFFFAOYSA-N
MW552.23 g/mol
LogP8.48
Rot. Bonds10

About 1,1,2,2,3,3-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphane

1,1,2,2,3,3-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphane (PubChem CID 22637718) has the molecular formula C17H13F16P and a molecular weight of 552.23 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphane
PubChem CID22637718
Molecular FormulaC17H13F16P
Molecular Weight552.23 g/mol
Exact Mass552.05
IUPAC Name1,1,2,2,3,3-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphane
SMILESCCCCCCC(F)(F)C(F)(F)C(F)(F)P(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H13F16P/c1-2-3-4-5-6-13(23,24)14(25,26)16(30,31)34(17(32,33)15(27,28)29)12-10(21)8(19)7(18)9(20)11(12)22/h2-6H2,1H3
InChIKeyOXTVBXXZLHWWJS-UHFFFAOYSA-N
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.23
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,2,2,3,3-heptafluoroicosane
CID 98452405
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroicosane
CID 22404665
1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
CID 98452289
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodotriacontane
CID 138394291
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814
1,1,1,2,2-pentafluorononadecane
CID 98452406
3,3,4,4,5,5,6,6-octafluorotridecane
CID 121404861
5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol
CID 121403452
1,1,2,2,3,3,4,4-octafluorodecane
CID 10613179
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-1-ene
CID 89419210

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphane?
The IUPAC name of 1,1,2,2,3,3-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphane (CID 22637718) is 1,1,2,2,3,3-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphane.
What is the SMILES notation for 1,1,2,2,3,3-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphane?
The canonical SMILES for 1,1,2,2,3,3-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphane is CCCCCCC(F)(F)C(F)(F)C(F)(F)P(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphane?
The InChIKey is OXTVBXXZLHWWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F16P/c1-2-3-4-5-6-13(23,24)14(25,26)16(30,31)34(17(32,33)15(27,28)29)12-10(21)8(19)7(18)9(20)11(12)22/h2-6H2,1H3.
What are the key properties of 1,1,2,2,3,3-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphane?
1,1,2,2,3,3-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphane has a molecular weight of 552.23 g/mol, XLogP of 8.48, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphane is sourced from PubChem (CID 22637718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).