[2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane

C29H8F20O2P2 — CID 85404676

IUPAC[2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane
SMILESFc1c(F)c(F)c(P(OC2CCCC2OP(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C29H8F20O2P2/c30-6-10(34)18(42)26(19(43)11(6)35)52(27-20(44)12(36)7(31)13(37)21(27)45)50-4-2-1-3-5(4)51-53(28-22(46)14(38)8(32)15(39)23(28)47)29-24(48)16(40)9(33)17(41)25(29)49/h4-5H,1-3H2
InChIKeyMUHMYZPUIOQGCB-UHFFFAOYSA-N
MW830.29 g/mol
LogP8.82
Rot. Bonds8

About [2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane

[2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane (PubChem CID 85404676) has the molecular formula C29H8F20O2P2 and a molecular weight of 830.29 g/mol. Its IUPAC name is [2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane.

Molecular Properties

Compound Name[2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane
PubChem CID85404676
Molecular FormulaC29H8F20O2P2
Molecular Weight830.29 g/mol
Exact Mass829.97
IUPAC Name[2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane
SMILESFc1c(F)c(F)c(P(OC2CCCC2OP(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C29H8F20O2P2/c30-6-10(34)18(42)26(19(43)11(6)35)52(27-20(44)12(36)7(31)13(37)21(27)45)50-4-2-1-3-5(4)51-53(28-22(46)14(38)8(32)15(39)23(28)47)29-24(48)16(40)9(33)17(41)25(29)49/h4-5H,1-3H2
InChIKeyMUHMYZPUIOQGCB-UHFFFAOYSA-N
XLogP8.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.29
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane?
The IUPAC name of [2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane (CID 85404676) is [2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane.
What is the SMILES notation for [2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane?
The canonical SMILES for [2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane is Fc1c(F)c(F)c(P(OC2CCCC2OP(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of [2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane?
The InChIKey is MUHMYZPUIOQGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H8F20O2P2/c30-6-10(34)18(42)26(19(43)11(6)35)52(27-20(44)12(36)7(31)13(37)21(27)45)50-4-2-1-3-5(4)51-53(28-22(46)14(38)8(32)15(39)23(28)47)29-24(48)16(40)9(33)17(41)25(29)49/h4-5H,1-3H2.
What are the key properties of [2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane?
[2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane has a molecular weight of 830.29 g/mol, XLogP of 8.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane is sourced from PubChem (CID 85404676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).