10-di(propan-2-yloxy)phosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane

C16H18F17O3P — CID 91998151

IUPAC10-di(propan-2-yloxy)phosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
SMILESCC(C)OP(=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(C)C
InChIInChI=1S/C16H18F17O3P/c1-7(2)35-37(34,36-8(3)4)6-5-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h7-8H,5-6H2,1-4H3
InChIKeyNUHXZXDKWWVPIK-UHFFFAOYSA-N
MW612.26 g/mol
LogP8.43
Rot. Bonds13

About 10-di(propan-2-yloxy)phosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane

10-di(propan-2-yloxy)phosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane (PubChem CID 91998151) has the molecular formula C16H18F17O3P and a molecular weight of 612.26 g/mol. Its IUPAC name is 10-di(propan-2-yloxy)phosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane.

Molecular Properties

Compound Name10-di(propan-2-yloxy)phosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
PubChem CID91998151
Molecular FormulaC16H18F17O3P
Molecular Weight612.26 g/mol
Exact Mass612.07
IUPAC Name10-di(propan-2-yloxy)phosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
SMILESCC(C)OP(=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(C)C
InChIInChI=1S/C16H18F17O3P/c1-7(2)35-37(34,36-8(3)4)6-5-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h7-8H,5-6H2,1-4H3
InChIKeyNUHXZXDKWWVPIK-UHFFFAOYSA-N
XLogP8.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.26
LogP ≤ 58.43
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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Frequently Asked Questions

What is the IUPAC name of 10-di(propan-2-yloxy)phosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane?
The IUPAC name of 10-di(propan-2-yloxy)phosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane (CID 91998151) is 10-di(propan-2-yloxy)phosphoryl-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-di(propan-2-yloxy)phosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane?
The canonical SMILES for 10-di(propan-2-yloxy)phosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane is CC(C)OP(=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(C)C.
What is the InChIKey of 10-di(propan-2-yloxy)phosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane?
The InChIKey is NUHXZXDKWWVPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F17O3P/c1-7(2)35-37(34,36-8(3)4)6-5-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h7-8H,5-6H2,1-4H3.
What are the key properties of 10-di(propan-2-yloxy)phosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane?
10-di(propan-2-yloxy)phosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane has a molecular weight of 612.26 g/mol, XLogP of 8.43, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-di(propan-2-yloxy)phosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane is sourced from PubChem (CID 91998151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).