1-dimethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane

C6H6F9O3P — CID 87432151

IUPAC1-dimethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane
SMILESCOP(=O)(OC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F9O3P/c1-17-19(16,18-2)6(14,15)4(9,10)3(7,8)5(11,12)13/h1-2H3
InChIKeyLRYDBTGMWDBUBP-UHFFFAOYSA-N
MW328.07 g/mol
LogP3.90
Rot. Bonds5

About 1-dimethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane

1-dimethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane (PubChem CID 87432151) has the molecular formula C6H6F9O3P and a molecular weight of 328.07 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane
PubChem CID87432151
Molecular FormulaC6H6F9O3P
Molecular Weight328.07 g/mol
Exact Mass327.99
IUPAC Name1-dimethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane
SMILESCOP(=O)(OC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F9O3P/c1-17-19(16,18-2)6(14,15)4(9,10)3(7,8)5(11,12)13/h1-2H3
InChIKeyLRYDBTGMWDBUBP-UHFFFAOYSA-N
XLogP3.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.07
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)(trimethoxy)-lambda~5~-phosphane
CID 12614993
Dimethyl penta-fluoroisopropenylphosphonate
CID 12614994
1-Dimethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-yne
CID 134922624
Dimethyl (3,3,3-trifluoroprop-1-yn-1-yl)phosphonate
CID 134987439
3-Dimethoxyphosphoryl-1,1,1,2,2-pentafluoropropane
CID 172877504
Dimethoxy(1,1,2,2,2-pentafluoroethyl)phosphane
CID 12512961
1,1,2,2-Tetrafluoro-3-[methyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxypropane
CID 12571361
2-Diethoxyphosphoryl-1,1,1,2,3,3,3-heptafluoropropane
CID 12731016
Dimethyl (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phosphonate
CID 12757477
Dimethyl [1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]phosphonate
CID 13115974
1-Dimethoxyphosphoryl-1,1,2,2-tetrafluoroethane
CID 21731022
Diethyl (1,1,2,3,3,3-hexafluoropropyl)phosphonate
CID 23236390

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane?
The IUPAC name of 1-dimethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane (CID 87432151) is 1-dimethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane.
What is the SMILES notation for 1-dimethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane?
The canonical SMILES for 1-dimethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane is COP(=O)(OC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-dimethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane?
The InChIKey is LRYDBTGMWDBUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F9O3P/c1-17-19(16,18-2)6(14,15)4(9,10)3(7,8)5(11,12)13/h1-2H3.
What are the key properties of 1-dimethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane?
1-dimethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane has a molecular weight of 328.07 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-1,1,2,2,3,3,4,4,4-nonafluorobutane is sourced from PubChem (CID 87432151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).