1-dimethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane

C7H6F9O4P — CID 13082389

IUPAC1-dimethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane
SMILESCOP(=O)(OC)C(F)(F)C(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C7H6F9O4P/c1-18-21(17,19-2)7(15,16)5(11,12)6(13,14)20-4(10)3(8)9/h1-2H3
InChIKeyODFHDUZZGVVBFH-UHFFFAOYSA-N
MW356.08 g/mol
LogP4.34
Rot. Bonds7

About 1-dimethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane

1-dimethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane (PubChem CID 13082389) has the molecular formula C7H6F9O4P and a molecular weight of 356.08 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane
PubChem CID13082389
Molecular FormulaC7H6F9O4P
Molecular Weight356.08 g/mol
Exact Mass355.99
IUPAC Name1-dimethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane
SMILESCOP(=O)(OC)C(F)(F)C(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C7H6F9O4P/c1-18-21(17,19-2)7(15,16)5(11,12)6(13,14)20-4(10)3(8)9/h1-2H3
InChIKeyODFHDUZZGVVBFH-UHFFFAOYSA-N
XLogP4.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.08
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3,4,4-octafluoro-1-(1,2,2-trifluoroethenoxy)pentane
CID 88551399
methyl 2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanoate
CID 11403991
methyl 2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,2,2-trifluoroethenoxy)hexanoate
CID 11058590
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluoro-31-(1,2,2-trifluoroethenoxy)hentriacontane
CID 175893093
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane
CID 19837350
1,1,2,3,3,4,4,5,5-nonafluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene
CID 14496010
2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanoyl chloride
CID 131719956
2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,2,2-trifluoroethenoxy)hexanoyl fluoride
CID 100950644
2-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane
CID 121433205
1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane
CID 88901327
2,2,3,3,4,4,5,5,6,6-decafluoro-N-methyl-6-(1,2,2-trifluoroethenoxy)hexanamide
CID 175997151
1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,2,2-trifluoroethenoxy)pentane-1-sulfonyl fluoride
CID 175997144

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane?
The IUPAC name of 1-dimethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane (CID 13082389) is 1-dimethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane.
What is the SMILES notation for 1-dimethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane?
The canonical SMILES for 1-dimethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane is COP(=O)(OC)C(F)(F)C(F)(F)C(F)(F)OC(F)=C(F)F.
What is the InChIKey of 1-dimethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane?
The InChIKey is ODFHDUZZGVVBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F9O4P/c1-18-21(17,19-2)7(15,16)5(11,12)6(13,14)20-4(10)3(8)9/h1-2H3.
What are the key properties of 1-dimethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane?
1-dimethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane has a molecular weight of 356.08 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane is sourced from PubChem (CID 13082389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).