3,3,4,5,5,6,7,8-octafluoro-4,6,7,8-tetrakis(phosphanyl)nonan-1-ol

C9H16F8OP4 — CID 129227890

IUPAC3,3,4,5,5,6,7,8-octafluoro-4,6,7,8-tetrakis(phosphanyl)nonan-1-ol
SMILESCC(F)(P)C(F)(P)C(F)(P)C(F)(F)C(F)(P)C(F)(F)CCO
InChIInChI=1S/C9H16F8OP4/c1-4(10,19)7(15,20)9(17,22)6(13,14)8(16,21)5(11,12)2-3-18/h18H,2-3,19-22H2,1H3
InChIKeyAHXGMDJANAAYIB-UHFFFAOYSA-N
MW416.11 g/mol
LogP3.82
Rot. Bonds7

About 3,3,4,5,5,6,7,8-octafluoro-4,6,7,8-tetrakis(phosphanyl)nonan-1-ol

3,3,4,5,5,6,7,8-octafluoro-4,6,7,8-tetrakis(phosphanyl)nonan-1-ol (PubChem CID 129227890) has the molecular formula C9H16F8OP4 and a molecular weight of 416.11 g/mol. Its IUPAC name is 3,3,4,5,5,6,7,8-octafluoro-4,6,7,8-tetrakis(phosphanyl)nonan-1-ol.

Molecular Properties

Compound Name3,3,4,5,5,6,7,8-octafluoro-4,6,7,8-tetrakis(phosphanyl)nonan-1-ol
PubChem CID129227890
Molecular FormulaC9H16F8OP4
Molecular Weight416.11 g/mol
Exact Mass416.00
IUPAC Name3,3,4,5,5,6,7,8-octafluoro-4,6,7,8-tetrakis(phosphanyl)nonan-1-ol
SMILESCC(F)(P)C(F)(P)C(F)(P)C(F)(F)C(F)(P)C(F)(F)CCO
InChIInChI=1S/C9H16F8OP4/c1-4(10,19)7(15,20)9(17,22)6(13,14)8(16,21)5(11,12)2-3-18/h18H,2-3,19-22H2,1H3
InChIKeyAHXGMDJANAAYIB-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.11
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,5,5,6,7,8-octafluoro-4,6,7,8-tetrakis(phosphanyl)nonan-1-ol?
The IUPAC name of 3,3,4,5,5,6,7,8-octafluoro-4,6,7,8-tetrakis(phosphanyl)nonan-1-ol (CID 129227890) is 3,3,4,5,5,6,7,8-octafluoro-4,6,7,8-tetrakis(phosphanyl)nonan-1-ol.
What is the SMILES notation for 3,3,4,5,5,6,7,8-octafluoro-4,6,7,8-tetrakis(phosphanyl)nonan-1-ol?
The canonical SMILES for 3,3,4,5,5,6,7,8-octafluoro-4,6,7,8-tetrakis(phosphanyl)nonan-1-ol is CC(F)(P)C(F)(P)C(F)(P)C(F)(F)C(F)(P)C(F)(F)CCO.
What is the InChIKey of 3,3,4,5,5,6,7,8-octafluoro-4,6,7,8-tetrakis(phosphanyl)nonan-1-ol?
The InChIKey is AHXGMDJANAAYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F8OP4/c1-4(10,19)7(15,20)9(17,22)6(13,14)8(16,21)5(11,12)2-3-18/h18H,2-3,19-22H2,1H3.
What are the key properties of 3,3,4,5,5,6,7,8-octafluoro-4,6,7,8-tetrakis(phosphanyl)nonan-1-ol?
3,3,4,5,5,6,7,8-octafluoro-4,6,7,8-tetrakis(phosphanyl)nonan-1-ol has a molecular weight of 416.11 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5,5,6,7,8-octafluoro-4,6,7,8-tetrakis(phosphanyl)nonan-1-ol is sourced from PubChem (CID 129227890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).