2-[[2-di(propan-2-yloxy)phosphoryl-1,1,2,2-tetrafluoroethyl]-propan-2-yloxyphosphoryl]oxypropane

C14H28F4O6P2 — CID 10094192

IUPAC2-[[2-di(propan-2-yloxy)phosphoryl-1,1,2,2-tetrafluoroethyl]-propan-2-yloxyphosphoryl]oxypropane
SMILESCC(C)OP(=O)(OC(C)C)C(F)(F)C(F)(F)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C14H28F4O6P2/c1-9(2)21-25(19,22-10(3)4)13(15,16)14(17,18)26(20,23-11(5)6)24-12(7)8/h9-12H,1-8H3
InChIKeyZSZCZDHITXTCJO-UHFFFAOYSA-N
MW430.31 g/mol
LogP6.26
Rot. Bonds11

About 2-[[2-di(propan-2-yloxy)phosphoryl-1,1,2,2-tetrafluoroethyl]-propan-2-yloxyphosphoryl]oxypropane

2-[[2-di(propan-2-yloxy)phosphoryl-1,1,2,2-tetrafluoroethyl]-propan-2-yloxyphosphoryl]oxypropane (PubChem CID 10094192) has the molecular formula C14H28F4O6P2 and a molecular weight of 430.31 g/mol. Its IUPAC name is 2-[[2-di(propan-2-yloxy)phosphoryl-1,1,2,2-tetrafluoroethyl]-propan-2-yloxyphosphoryl]oxypropane.

Molecular Properties

Compound Name2-[[2-di(propan-2-yloxy)phosphoryl-1,1,2,2-tetrafluoroethyl]-propan-2-yloxyphosphoryl]oxypropane
PubChem CID10094192
Molecular FormulaC14H28F4O6P2
Molecular Weight430.31 g/mol
Exact Mass430.13
IUPAC Name2-[[2-di(propan-2-yloxy)phosphoryl-1,1,2,2-tetrafluoroethyl]-propan-2-yloxyphosphoryl]oxypropane
SMILESCC(C)OP(=O)(OC(C)C)C(F)(F)C(F)(F)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C14H28F4O6P2/c1-9(2)21-25(19,22-10(3)4)13(15,16)14(17,18)26(20,23-11(5)6)24-12(7)8/h9-12H,1-8H3
InChIKeyZSZCZDHITXTCJO-UHFFFAOYSA-N
XLogP6.26
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.31
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Tetraisopropyl Difluoromethylenebisphosphonate
CID 11717839
Tetraethyl Difluoromethylenebisphosphonate
CID 11823499
Phosphonic acid, (2-hydroxytetrafluoroallyl)-, diethyl ester diethylphosphate (ester)
CID 3057425
2-Diisopropoxyphosphoryl-1,1,1,3,3,3-hexafluoro-propane
CID 389111
1,1,1,3,3,3-Hexafluoropropan-2-yl dipropyl phosphate
CID 383646
[3-(Diethoxy-phosphoryl)-1,1,2,2,3,3-hexafluoro-propyl]-phosphonic acid diethyl ester
CID 9979741
[2-(Diethoxy-phosphoryl)-1,1,2,2-tetrafluoro-ethyl]-phosphonic acid diethyl ester
CID 10022267
[4-(Diethoxy-phosphoryl)-1,1,2,2,3,3,4,4-octafluoro-butyl]-phosphonic acid diethyl ester
CID 10096428
Di(propan-2-yloxy)phosphoryl-bis(trifluoromethyl)phosphane
CID 13179223
Tetraisopropyl Fluoromethylenediphosphonate
CID 12722940
Diethyl 1,1,1,3,3,3-hexafluoropropan-2-yl phosphate
CID 12513073
[(E)-1-diethoxyphosphoryl-2,3,3,3-tetrafluoroprop-1-enyl] diethyl phosphate
CID 13196896

Frequently Asked Questions

What is the IUPAC name of 2-[[2-di(propan-2-yloxy)phosphoryl-1,1,2,2-tetrafluoroethyl]-propan-2-yloxyphosphoryl]oxypropane?
The IUPAC name of 2-[[2-di(propan-2-yloxy)phosphoryl-1,1,2,2-tetrafluoroethyl]-propan-2-yloxyphosphoryl]oxypropane (CID 10094192) is 2-[[2-di(propan-2-yloxy)phosphoryl-1,1,2,2-tetrafluoroethyl]-propan-2-yloxyphosphoryl]oxypropane.
What is the SMILES notation for 2-[[2-di(propan-2-yloxy)phosphoryl-1,1,2,2-tetrafluoroethyl]-propan-2-yloxyphosphoryl]oxypropane?
The canonical SMILES for 2-[[2-di(propan-2-yloxy)phosphoryl-1,1,2,2-tetrafluoroethyl]-propan-2-yloxyphosphoryl]oxypropane is CC(C)OP(=O)(OC(C)C)C(F)(F)C(F)(F)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 2-[[2-di(propan-2-yloxy)phosphoryl-1,1,2,2-tetrafluoroethyl]-propan-2-yloxyphosphoryl]oxypropane?
The InChIKey is ZSZCZDHITXTCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F4O6P2/c1-9(2)21-25(19,22-10(3)4)13(15,16)14(17,18)26(20,23-11(5)6)24-12(7)8/h9-12H,1-8H3.
What are the key properties of 2-[[2-di(propan-2-yloxy)phosphoryl-1,1,2,2-tetrafluoroethyl]-propan-2-yloxyphosphoryl]oxypropane?
2-[[2-di(propan-2-yloxy)phosphoryl-1,1,2,2-tetrafluoroethyl]-propan-2-yloxyphosphoryl]oxypropane has a molecular weight of 430.31 g/mol, XLogP of 6.26, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-di(propan-2-yloxy)phosphoryl-1,1,2,2-tetrafluoroethyl]-propan-2-yloxyphosphoryl]oxypropane is sourced from PubChem (CID 10094192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).