[(2S,3S)-3-bis(2,3,4,5,6-pentafluorophenyl)phosphanylbutan-2-yl]-bis(2,3,4,5,6-pentafluorophenyl)phosphane

C28H8F20P2 — CID 57239596

IUPAC[(2S,3S)-3-bis(2,3,4,5,6-pentafluorophenyl)phosphanylbutan-2-yl]-bis(2,3,4,5,6-pentafluorophenyl)phosphane
SMILESC[C@@H]([C@H](C)P(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)P(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C28H8F20P2/c1-3(49(25-17(41)9(33)5(29)10(34)18(25)42)26-19(43)11(35)6(30)12(36)20(26)44)4(2)50(27-21(45)13(37)7(31)14(38)22(27)46)28-23(47)15(39)8(32)16(40)24(28)48/h3-4H,1-2H3/t3-,4-/m0/s1
InChIKeyYAXVZFZGHDXVQO-IMJSIDKUSA-N
MW786.28 g/mol
LogP8.81
Rot. Bonds7

About [(2S,3S)-3-bis(2,3,4,5,6-pentafluorophenyl)phosphanylbutan-2-yl]-bis(2,3,4,5,6-pentafluorophenyl)phosphane

[(2S,3S)-3-bis(2,3,4,5,6-pentafluorophenyl)phosphanylbutan-2-yl]-bis(2,3,4,5,6-pentafluorophenyl)phosphane (PubChem CID 57239596) has the molecular formula C28H8F20P2 and a molecular weight of 786.28 g/mol. Its IUPAC name is [(2S,3S)-3-bis(2,3,4,5,6-pentafluorophenyl)phosphanylbutan-2-yl]-bis(2,3,4,5,6-pentafluorophenyl)phosphane.

Molecular Properties

Compound Name[(2S,3S)-3-bis(2,3,4,5,6-pentafluorophenyl)phosphanylbutan-2-yl]-bis(2,3,4,5,6-pentafluorophenyl)phosphane
PubChem CID57239596
Molecular FormulaC28H8F20P2
Molecular Weight786.28 g/mol
Exact Mass785.98
IUPAC Name[(2S,3S)-3-bis(2,3,4,5,6-pentafluorophenyl)phosphanylbutan-2-yl]-bis(2,3,4,5,6-pentafluorophenyl)phosphane
SMILESC[C@@H]([C@H](C)P(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)P(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C28H8F20P2/c1-3(49(25-17(41)9(33)5(29)10(34)18(25)42)26-19(43)11(35)6(30)12(36)20(26)44)4(2)50(27-21(45)13(37)7(31)14(38)22(27)46)28-23(47)15(39)8(32)16(40)24(28)48/h3-4H,1-2H3/t3-,4-/m0/s1
InChIKeyYAXVZFZGHDXVQO-IMJSIDKUSA-N
XLogP8.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.28
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 [(2S,3S)-3-bis(2,3,4,5,6-pentafluorophenyl)phosphanylbutan-2-yl]-bis(2,3,4,5,6-pentafluorophenyl)phosphane?
The IUPAC name of [(2S,3S)-3-bis(2,3,4,5,6-pentafluorophenyl)phosphanylbutan-2-yl]-bis(2,3,4,5,6-pentafluorophenyl)phosphane (CID 57239596) is [(2S,3S)-3-bis(2,3,4,5,6-pentafluorophenyl)phosphanylbutan-2-yl]-bis(2,3,4,5,6-pentafluorophenyl)phosphane.
What is the SMILES notation for [(2S,3S)-3-bis(2,3,4,5,6-pentafluorophenyl)phosphanylbutan-2-yl]-bis(2,3,4,5,6-pentafluorophenyl)phosphane?
The canonical SMILES for [(2S,3S)-3-bis(2,3,4,5,6-pentafluorophenyl)phosphanylbutan-2-yl]-bis(2,3,4,5,6-pentafluorophenyl)phosphane is C[C@@H]([C@H](C)P(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)P(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of [(2S,3S)-3-bis(2,3,4,5,6-pentafluorophenyl)phosphanylbutan-2-yl]-bis(2,3,4,5,6-pentafluorophenyl)phosphane?
The InChIKey is YAXVZFZGHDXVQO-IMJSIDKUSA-N. The full InChI is InChI=1S/C28H8F20P2/c1-3(49(25-17(41)9(33)5(29)10(34)18(25)42)26-19(43)11(35)6(30)12(36)20(26)44)4(2)50(27-21(45)13(37)7(31)14(38)22(27)46)28-23(47)15(39)8(32)16(40)24(28)48/h3-4H,1-2H3/t3-,4-/m0/s1.
What are the key properties of [(2S,3S)-3-bis(2,3,4,5,6-pentafluorophenyl)phosphanylbutan-2-yl]-bis(2,3,4,5,6-pentafluorophenyl)phosphane?
[(2S,3S)-3-bis(2,3,4,5,6-pentafluorophenyl)phosphanylbutan-2-yl]-bis(2,3,4,5,6-pentafluorophenyl)phosphane has a molecular weight of 786.28 g/mol, XLogP of 8.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-bis(2,3,4,5,6-pentafluorophenyl)phosphanylbutan-2-yl]-bis(2,3,4,5,6-pentafluorophenyl)phosphane is sourced from PubChem (CID 57239596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).