1-dimethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane

C5H7F6O3P — CID 155293685

IUPAC1-dimethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane
SMILESCOP(=O)(OC)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C5H7F6O3P/c1-13-15(12,14-2)5(10,11)3(6)4(7,8)9/h3H,1-2H3
InChIKeyYULPEIDAMZRGRU-UHFFFAOYSA-N
MW260.07 g/mol
LogP2.97
Rot. Bonds4

About 1-dimethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane

1-dimethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane (PubChem CID 155293685) has the molecular formula C5H7F6O3P and a molecular weight of 260.07 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane
PubChem CID155293685
Molecular FormulaC5H7F6O3P
Molecular Weight260.07 g/mol
Exact Mass260.00
IUPAC Name1-dimethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane
SMILESCOP(=O)(OC)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C5H7F6O3P/c1-13-15(12,14-2)5(10,11)3(6)4(7,8)9/h3H,1-2H3
InChIKeyYULPEIDAMZRGRU-UHFFFAOYSA-N
XLogP2.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.07
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane?
The IUPAC name of 1-dimethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane (CID 155293685) is 1-dimethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane.
What is the SMILES notation for 1-dimethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane?
The canonical SMILES for 1-dimethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane is COP(=O)(OC)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1-dimethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane?
The InChIKey is YULPEIDAMZRGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F6O3P/c1-13-15(12,14-2)5(10,11)3(6)4(7,8)9/h3H,1-2H3.
What are the key properties of 1-dimethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane?
1-dimethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane has a molecular weight of 260.07 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-1,1,2,3,3,3-hexafluoropropane is sourced from PubChem (CID 155293685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).