1-dimethoxyphosphoryl-1,1,2,2,2-pentafluoroethane

C4H6F5O3P — CID 22008132

IUPAC1-dimethoxyphosphoryl-1,1,2,2,2-pentafluoroethane
SMILESCOP(=O)(OC)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H6F5O3P/c1-11-13(10,12-2)4(8,9)3(5,6)7/h1-2H3
InChIKeyTUMGIPVUXUSNRY-UHFFFAOYSA-N
MW228.05 g/mol
LogP2.63
Rot. Bonds3

About 1-dimethoxyphosphoryl-1,1,2,2,2-pentafluoroethane

1-dimethoxyphosphoryl-1,1,2,2,2-pentafluoroethane (PubChem CID 22008132) has the molecular formula C4H6F5O3P and a molecular weight of 228.05 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-1,1,2,2,2-pentafluoroethane.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-1,1,2,2,2-pentafluoroethane
PubChem CID22008132
Molecular FormulaC4H6F5O3P
Molecular Weight228.05 g/mol
Exact Mass228.00
IUPAC Name1-dimethoxyphosphoryl-1,1,2,2,2-pentafluoroethane
SMILESCOP(=O)(OC)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H6F5O3P/c1-11-13(10,12-2)4(8,9)3(5,6)7/h1-2H3
InChIKeyTUMGIPVUXUSNRY-UHFFFAOYSA-N
XLogP2.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.05
LogP ≤ 52.63
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

Bis(2,2,2-trifluoroethyl) methylphosphonate
CID 3625610
Dimethyl penta-fluoroisopropenylphosphonate
CID 12614994
Dimethyl (trifluoromethyl)phosphonate
CID 13207014
Dimethoxy(1,1,2,2,2-pentafluoroethyl)phosphane
CID 12512961
1-Dimethoxyphosphoryl-1,1,2,2-tetrafluoroethane
CID 21731022
Dimethyl (1,1,2,3,3,3-hexafluoropropyl)phosphonate
CID 155293685
1-Dimethoxyphosphoryl-1,2,2-trifluoroethene
CID 12103733
Dimethyl difluoromethylphosphonate
CID 13426240
Methoxy-oxo-(1,1,2,2,2-pentafluoroethyl)phosphanium
CID 14091738
1,1,1-Trifluoro-2-[methoxy(2,2,2-trifluoroethyl)phosphoryl]ethane
CID 23081767
Methyl bis(pentafluoroethyl)phosphinate
CID 23081881
1-Dimethoxyphosphoryl-1,1-difluoroethane
CID 58661688

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-1,1,2,2,2-pentafluoroethane?
The IUPAC name of 1-dimethoxyphosphoryl-1,1,2,2,2-pentafluoroethane (CID 22008132) is 1-dimethoxyphosphoryl-1,1,2,2,2-pentafluoroethane.
What is the SMILES notation for 1-dimethoxyphosphoryl-1,1,2,2,2-pentafluoroethane?
The canonical SMILES for 1-dimethoxyphosphoryl-1,1,2,2,2-pentafluoroethane is COP(=O)(OC)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-dimethoxyphosphoryl-1,1,2,2,2-pentafluoroethane?
The InChIKey is TUMGIPVUXUSNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F5O3P/c1-11-13(10,12-2)4(8,9)3(5,6)7/h1-2H3.
What are the key properties of 1-dimethoxyphosphoryl-1,1,2,2,2-pentafluoroethane?
1-dimethoxyphosphoryl-1,1,2,2,2-pentafluoroethane has a molecular weight of 228.05 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-1,1,2,2,2-pentafluoroethane is sourced from PubChem (CID 22008132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).