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

C21H27F10P — CID 23123231

IUPAC2,3,4,5,6,9-hexafluorononyl-(2-methylpentyl)-(2,3,4,5-tetrafluorophenyl)phosphane
SMILESCCCC(C)CP(CC(F)C(F)C(F)C(F)C(F)CCCF)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C21H27F10P/c1-3-5-11(2)9-32(15-8-13(24)17(27)21(31)19(15)29)10-14(25)18(28)20(30)16(26)12(23)6-4-7-22/h8,11-12,14,16,18,20H,3-7,9-10H2,1-2H3
InChIKeyZGYIAPHJQFWTHV-UHFFFAOYSA-N
MW500.40 g/mol
LogP7.23
Rot. Bonds14

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

2,3,4,5,6,9-hexafluorononyl-(2-methylpentyl)-(2,3,4,5-tetrafluorophenyl)phosphane (PubChem CID 23123231) has the molecular formula C21H27F10P and a molecular weight of 500.40 g/mol. Its IUPAC name is 2,3,4,5,6,9-hexafluorononyl-(2-methylpentyl)-(2,3,4,5-tetrafluorophenyl)phosphane.

Molecular Properties

Compound Name2,3,4,5,6,9-hexafluorononyl-(2-methylpentyl)-(2,3,4,5-tetrafluorophenyl)phosphane
PubChem CID23123231
Molecular FormulaC21H27F10P
Molecular Weight500.40 g/mol
Exact Mass500.17
IUPAC Name2,3,4,5,6,9-hexafluorononyl-(2-methylpentyl)-(2,3,4,5-tetrafluorophenyl)phosphane
SMILESCCCC(C)CP(CC(F)C(F)C(F)C(F)C(F)CCCF)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C21H27F10P/c1-3-5-11(2)9-32(15-8-13(24)17(27)21(31)19(15)29)10-14(25)18(28)20(30)16(26)12(23)6-4-7-22/h8,11-12,14,16,18,20H,3-7,9-10H2,1-2H3
InChIKeyZGYIAPHJQFWTHV-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.40
LogP ≤ 57.23
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'}

Analyze 2,3,4,5,6,9-hexafluorononyl-(2-methylpentyl)-(2,3,4,5-tetrafluorophenyl)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

ethyl-(2,3,4,5,6,9-hexafluorononyl)-(2,3,4,5-tetrafluorophenyl)phosphane
CID 23123071
boric acid;tris(butyl-(2-methylpentyl)-[2,4,5-trifluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]phosphane);tetrakis(1,2,3,4,5-pentafluoro-6-(2,3,4-trifluorophenyl)benzene)
CID 173225328
barium(2+);1,1,2,3,4,5,8-heptafluorooctane;hydride
CID 173311743
2,3,4,5,6,9-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphanium
CID 23123622
N-(3-ethylheptyl)-N-(2,3,4,5,6,9-hexafluorononyl)aniline
CID 23123344
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
butyl-nonyl-(2,3,4,5-tetrafluorophenyl)phosphanium;tetrakis(2-methylpentyl)boranuide
CID 22637807
2-(2,3,4,5,8-pentafluorooctoxy)hexanenitrile
CID 175318333
3-methyl-1-(3,4,5-trifluorophenyl)hexan-1-one
CID 62620644

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,9-hexafluorononyl-(2-methylpentyl)-(2,3,4,5-tetrafluorophenyl)phosphane?
The IUPAC name of 2,3,4,5,6,9-hexafluorononyl-(2-methylpentyl)-(2,3,4,5-tetrafluorophenyl)phosphane (CID 23123231) is 2,3,4,5,6,9-hexafluorononyl-(2-methylpentyl)-(2,3,4,5-tetrafluorophenyl)phosphane.
What is the SMILES notation for 2,3,4,5,6,9-hexafluorononyl-(2-methylpentyl)-(2,3,4,5-tetrafluorophenyl)phosphane?
The canonical SMILES for 2,3,4,5,6,9-hexafluorononyl-(2-methylpentyl)-(2,3,4,5-tetrafluorophenyl)phosphane is CCCC(C)CP(CC(F)C(F)C(F)C(F)C(F)CCCF)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6,9-hexafluorononyl-(2-methylpentyl)-(2,3,4,5-tetrafluorophenyl)phosphane?
The InChIKey is ZGYIAPHJQFWTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F10P/c1-3-5-11(2)9-32(15-8-13(24)17(27)21(31)19(15)29)10-14(25)18(28)20(30)16(26)12(23)6-4-7-22/h8,11-12,14,16,18,20H,3-7,9-10H2,1-2H3.
What are the key properties of 2,3,4,5,6,9-hexafluorononyl-(2-methylpentyl)-(2,3,4,5-tetrafluorophenyl)phosphane?
2,3,4,5,6,9-hexafluorononyl-(2-methylpentyl)-(2,3,4,5-tetrafluorophenyl)phosphane has a molecular weight of 500.40 g/mol, XLogP of 7.23, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,9-hexafluorononyl-(2-methylpentyl)-(2,3,4,5-tetrafluorophenyl)phosphane is sourced from PubChem (CID 23123231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).