1,5-bis[di(propan-2-yloxy)phosphoryl]-1,1-difluoropentane

C17H36F2O6P2 — CID 10599039

IUPAC1,5-bis[di(propan-2-yloxy)phosphoryl]-1,1-difluoropentane
SMILESCC(C)OP(=O)(CCCCC(F)(F)P(=O)(OC(C)C)OC(C)C)OC(C)C
InChIInChI=1S/C17H36F2O6P2/c1-13(2)22-26(20,23-14(3)4)12-10-9-11-17(18,19)27(21,24-15(5)6)25-16(7)8/h13-16H,9-12H2,1-8H3
InChIKeyPKLGXJSYYNQZHI-UHFFFAOYSA-N
MW436.41 g/mol
LogP6.84
Rot. Bonds14

About 1,5-bis[di(propan-2-yloxy)phosphoryl]-1,1-difluoropentane

1,5-bis[di(propan-2-yloxy)phosphoryl]-1,1-difluoropentane (PubChem CID 10599039) has the molecular formula C17H36F2O6P2 and a molecular weight of 436.41 g/mol. Its IUPAC name is 1,5-bis[di(propan-2-yloxy)phosphoryl]-1,1-difluoropentane.

Molecular Properties

Compound Name1,5-bis[di(propan-2-yloxy)phosphoryl]-1,1-difluoropentane
PubChem CID10599039
Molecular FormulaC17H36F2O6P2
Molecular Weight436.41 g/mol
Exact Mass436.20
IUPAC Name1,5-bis[di(propan-2-yloxy)phosphoryl]-1,1-difluoropentane
SMILESCC(C)OP(=O)(CCCCC(F)(F)P(=O)(OC(C)C)OC(C)C)OC(C)C
InChIInChI=1S/C17H36F2O6P2/c1-13(2)22-26(20,23-14(3)4)12-10-9-11-17(18,19)27(21,24-15(5)6)25-16(7)8/h13-16H,9-12H2,1-8H3
InChIKeyPKLGXJSYYNQZHI-UHFFFAOYSA-N
XLogP6.84
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.41
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis[di(propan-2-yloxy)phosphoryl]-1,1-difluoropentane?
The IUPAC name of 1,5-bis[di(propan-2-yloxy)phosphoryl]-1,1-difluoropentane (CID 10599039) is 1,5-bis[di(propan-2-yloxy)phosphoryl]-1,1-difluoropentane.
What is the SMILES notation for 1,5-bis[di(propan-2-yloxy)phosphoryl]-1,1-difluoropentane?
The canonical SMILES for 1,5-bis[di(propan-2-yloxy)phosphoryl]-1,1-difluoropentane is CC(C)OP(=O)(CCCCC(F)(F)P(=O)(OC(C)C)OC(C)C)OC(C)C.
What is the InChIKey of 1,5-bis[di(propan-2-yloxy)phosphoryl]-1,1-difluoropentane?
The InChIKey is PKLGXJSYYNQZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36F2O6P2/c1-13(2)22-26(20,23-14(3)4)12-10-9-11-17(18,19)27(21,24-15(5)6)25-16(7)8/h13-16H,9-12H2,1-8H3.
What are the key properties of 1,5-bis[di(propan-2-yloxy)phosphoryl]-1,1-difluoropentane?
1,5-bis[di(propan-2-yloxy)phosphoryl]-1,1-difluoropentane has a molecular weight of 436.41 g/mol, XLogP of 6.84, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[di(propan-2-yloxy)phosphoryl]-1,1-difluoropentane is sourced from PubChem (CID 10599039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).