[(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclohexyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane

C30H10F20O2P2 — CID 10533553

IUPAC[(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclohexyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane
SMILESFc1c(F)c(F)c(P(O[C@H]2CCCC[C@@H]2OP(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/C30H10F20O2P2/c31-7-11(35)19(43)27(20(44)12(7)36)53(28-21(45)13(37)8(32)14(38)22(28)46)51-5-3-1-2-4-6(5)52-54(29-23(47)15(39)9(33)16(40)24(29)48)30-25(49)17(41)10(34)18(42)26(30)50/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeySUZHYSYMDHYIHJ-WDSKDSINSA-N
MW844.32 g/mol
LogP9.21
Rot. Bonds8

About [(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclohexyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane

[(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclohexyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane (PubChem CID 10533553) has the molecular formula C30H10F20O2P2 and a molecular weight of 844.32 g/mol. Its IUPAC name is [(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclohexyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane.

Molecular Properties

Compound Name[(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclohexyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane
PubChem CID10533553
Molecular FormulaC30H10F20O2P2
Molecular Weight844.32 g/mol
Exact Mass843.98
IUPAC Name[(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclohexyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane
SMILESFc1c(F)c(F)c(P(O[C@H]2CCCC[C@@H]2OP(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/C30H10F20O2P2/c31-7-11(35)19(43)27(20(44)12(7)36)53(28-21(45)13(37)8(32)14(38)22(28)46)51-5-3-1-2-4-6(5)52-54(29-23(47)15(39)9(33)16(40)24(29)48)30-25(49)17(41)10(34)18(42)26(30)50/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeySUZHYSYMDHYIHJ-WDSKDSINSA-N
XLogP9.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.32
LogP ≤ 59.21
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 [(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclohexyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane?
The IUPAC name of [(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclohexyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane (CID 10533553) is [(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclohexyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane.
What is the SMILES notation for [(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclohexyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane?
The canonical SMILES for [(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclohexyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane is Fc1c(F)c(F)c(P(O[C@H]2CCCC[C@@H]2OP(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 [(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclohexyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane?
The InChIKey is SUZHYSYMDHYIHJ-WDSKDSINSA-N. The full InChI is InChI=1S/C30H10F20O2P2/c31-7-11(35)19(43)27(20(44)12(7)36)53(28-21(45)13(37)8(32)14(38)22(28)46)51-5-3-1-2-4-6(5)52-54(29-23(47)15(39)9(33)16(40)24(29)48)30-25(49)17(41)10(34)18(42)26(30)50/h5-6H,1-4H2/t5-,6-/m0/s1.
What are the key properties of [(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclohexyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane?
[(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclohexyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane has a molecular weight of 844.32 g/mol, XLogP of 9.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclohexyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane is sourced from PubChem (CID 10533553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).