1-[bis(1,1,2,2,2-pentafluoroethyl)phosphanyl]ethyl-bis(1,1,2,2,2-pentafluoroethyl)phosphane

C10H4F20P2 — CID 87459273

IUPAC1-[bis(1,1,2,2,2-pentafluoroethyl)phosphanyl]ethyl-bis(1,1,2,2,2-pentafluoroethyl)phosphane
SMILESCC(P(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)P(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H4F20P2/c1-2(31(7(23,24)3(11,12)13)8(25,26)4(14,15)16)32(9(27,28)5(17,18)19)10(29,30)6(20,21)22/h2H,1H3
InChIKeyAFQSRKLXUGCILH-UHFFFAOYSA-N
MW566.05 g/mol
LogP8.92
Rot. Bonds6

About 1-[bis(1,1,2,2,2-pentafluoroethyl)phosphanyl]ethyl-bis(1,1,2,2,2-pentafluoroethyl)phosphane

1-[bis(1,1,2,2,2-pentafluoroethyl)phosphanyl]ethyl-bis(1,1,2,2,2-pentafluoroethyl)phosphane (PubChem CID 87459273) has the molecular formula C10H4F20P2 and a molecular weight of 566.05 g/mol. Its IUPAC name is 1-[bis(1,1,2,2,2-pentafluoroethyl)phosphanyl]ethyl-bis(1,1,2,2,2-pentafluoroethyl)phosphane.

Molecular Properties

Compound Name1-[bis(1,1,2,2,2-pentafluoroethyl)phosphanyl]ethyl-bis(1,1,2,2,2-pentafluoroethyl)phosphane
PubChem CID87459273
Molecular FormulaC10H4F20P2
Molecular Weight566.05 g/mol
Exact Mass565.95
IUPAC Name1-[bis(1,1,2,2,2-pentafluoroethyl)phosphanyl]ethyl-bis(1,1,2,2,2-pentafluoroethyl)phosphane
SMILESCC(P(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)P(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H4F20P2/c1-2(31(7(23,24)3(11,12)13)8(25,26)4(14,15)16)32(9(27,28)5(17,18)19)10(29,30)6(20,21)22/h2H,1H3
InChIKeyAFQSRKLXUGCILH-UHFFFAOYSA-N
XLogP8.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.05
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1-[bis(1,1,2,2,2-pentafluoroethyl)phosphanyl]ethyl-bis(1,1,2,2,2-pentafluoroethyl)phosphane?
The IUPAC name of 1-[bis(1,1,2,2,2-pentafluoroethyl)phosphanyl]ethyl-bis(1,1,2,2,2-pentafluoroethyl)phosphane (CID 87459273) is 1-[bis(1,1,2,2,2-pentafluoroethyl)phosphanyl]ethyl-bis(1,1,2,2,2-pentafluoroethyl)phosphane.
What is the SMILES notation for 1-[bis(1,1,2,2,2-pentafluoroethyl)phosphanyl]ethyl-bis(1,1,2,2,2-pentafluoroethyl)phosphane?
The canonical SMILES for 1-[bis(1,1,2,2,2-pentafluoroethyl)phosphanyl]ethyl-bis(1,1,2,2,2-pentafluoroethyl)phosphane is CC(P(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)P(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-[bis(1,1,2,2,2-pentafluoroethyl)phosphanyl]ethyl-bis(1,1,2,2,2-pentafluoroethyl)phosphane?
The InChIKey is AFQSRKLXUGCILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F20P2/c1-2(31(7(23,24)3(11,12)13)8(25,26)4(14,15)16)32(9(27,28)5(17,18)19)10(29,30)6(20,21)22/h2H,1H3.
What are the key properties of 1-[bis(1,1,2,2,2-pentafluoroethyl)phosphanyl]ethyl-bis(1,1,2,2,2-pentafluoroethyl)phosphane?
1-[bis(1,1,2,2,2-pentafluoroethyl)phosphanyl]ethyl-bis(1,1,2,2,2-pentafluoroethyl)phosphane has a molecular weight of 566.05 g/mol, XLogP of 8.92, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(1,1,2,2,2-pentafluoroethyl)phosphanyl]ethyl-bis(1,1,2,2,2-pentafluoroethyl)phosphane is sourced from PubChem (CID 87459273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).