10-dimethoxyphosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane

C12H10F17O3P — CID 91998022

IUPAC10-dimethoxyphosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
SMILESCOP(=O)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC
InChIInChI=1S/C12H10F17O3P/c1-31-33(30,32-2)4-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h3-4H2,1-2H3
InChIKeyXEYTXSGNJOYNKO-UHFFFAOYSA-N
MW556.15 g/mol
LogP6.87
Rot. Bonds11

About 10-dimethoxyphosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane

10-dimethoxyphosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane (PubChem CID 91998022) has the molecular formula C12H10F17O3P and a molecular weight of 556.15 g/mol. Its IUPAC name is 10-dimethoxyphosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane.

Molecular Properties

Compound Name10-dimethoxyphosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
PubChem CID91998022
Molecular FormulaC12H10F17O3P
Molecular Weight556.15 g/mol
Exact Mass556.01
IUPAC Name10-dimethoxyphosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
SMILESCOP(=O)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC
InChIInChI=1S/C12H10F17O3P/c1-31-33(30,32-2)4-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h3-4H2,1-2H3
InChIKeyXEYTXSGNJOYNKO-UHFFFAOYSA-N
XLogP6.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.15
LogP ≤ 56.87
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

(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)phosphonic acid diethyl ester
CID 11070933
Diethyl 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylphosphonate
CID 12175336
Dimethyl (3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphonatato
CID 91997797
Dimethyl (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)phosphonate
CID 99707415
Diethyl (3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphonate
CID 85888424
Ethyl hydrogen (3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphonate
CID 98463174
Diethyl (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)phosphonate
CID 12175338
1-Diethoxyphosphoryl-1,1-difluorooctane
CID 10039613
Phosphonic acid, (1,1-difluorononyl)-, diethyl ester
CID 10447514
6-Diethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluorohexane
CID 11122104
Xpizpzrrdikdss-uhfffaoysa-
CID 23271363
1,10-Bis(dimethoxyphosphoryl)-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodecane
CID 155293681

Frequently Asked Questions

What is the IUPAC name of 10-dimethoxyphosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane?
The IUPAC name of 10-dimethoxyphosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane (CID 91998022) is 10-dimethoxyphosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane.
What is the SMILES notation for 10-dimethoxyphosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane?
The canonical SMILES for 10-dimethoxyphosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane is COP(=O)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC.
What is the InChIKey of 10-dimethoxyphosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane?
The InChIKey is XEYTXSGNJOYNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F17O3P/c1-31-33(30,32-2)4-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h3-4H2,1-2H3.
What are the key properties of 10-dimethoxyphosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane?
10-dimethoxyphosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane has a molecular weight of 556.15 g/mol, XLogP of 6.87, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dimethoxyphosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane is sourced from PubChem (CID 91998022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).