1,2,3,4,5,6,7,8-octafluoro-9-(2,3,4,5,6-pentafluorophenyl)-9H-fluorene

C19HF13 — CID 11670108

IUPAC1,2,3,4,5,6,7,8-octafluoro-9-(2,3,4,5,6-pentafluorophenyl)-9H-fluorene
SMILESFc1c(F)c(F)c(C2c3c(F)c(F)c(F)c(F)c3-c3c(F)c(F)c(F)c(F)c32)c(F)c1F
InChIInChI=1S/C19HF13/c20-7-2-1(6-11(24)17(30)19(32)18(31)12(6)25)3-5(4(2)9(22)15(28)13(7)26)10(23)16(29)14(27)8(3)21/h1H
InChIKeyGLQWBYAOHPDZJH-UHFFFAOYSA-N
MW476.19 g/mol
LogP6.66
Rot. Bonds1

About 1,2,3,4,5,6,7,8-octafluoro-9-(2,3,4,5,6-pentafluorophenyl)-9H-fluorene

1,2,3,4,5,6,7,8-octafluoro-9-(2,3,4,5,6-pentafluorophenyl)-9H-fluorene (PubChem CID 11670108) has the molecular formula C19HF13 and a molecular weight of 476.19 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octafluoro-9-(2,3,4,5,6-pentafluorophenyl)-9H-fluorene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octafluoro-9-(2,3,4,5,6-pentafluorophenyl)-9H-fluorene
PubChem CID11670108
Molecular FormulaC19HF13
Molecular Weight476.19 g/mol
Exact Mass475.99
IUPAC Name1,2,3,4,5,6,7,8-octafluoro-9-(2,3,4,5,6-pentafluorophenyl)-9H-fluorene
SMILESFc1c(F)c(F)c(C2c3c(F)c(F)c(F)c(F)c3-c3c(F)c(F)c(F)c(F)c32)c(F)c1F
InChIInChI=1S/C19HF13/c20-7-2-1(6-11(24)17(30)19(32)18(31)12(6)25)3-5(4(2)9(22)15(28)13(7)26)10(23)16(29)14(27)8(3)21/h1H
InChIKeyGLQWBYAOHPDZJH-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.19
LogP ≤ 56.66
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octafluoro-9-(2,3,4,5,6-pentafluorophenyl)-9H-fluorene?
The IUPAC name of 1,2,3,4,5,6,7,8-octafluoro-9-(2,3,4,5,6-pentafluorophenyl)-9H-fluorene (CID 11670108) is 1,2,3,4,5,6,7,8-octafluoro-9-(2,3,4,5,6-pentafluorophenyl)-9H-fluorene.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octafluoro-9-(2,3,4,5,6-pentafluorophenyl)-9H-fluorene?
The canonical SMILES for 1,2,3,4,5,6,7,8-octafluoro-9-(2,3,4,5,6-pentafluorophenyl)-9H-fluorene is Fc1c(F)c(F)c(C2c3c(F)c(F)c(F)c(F)c3-c3c(F)c(F)c(F)c(F)c32)c(F)c1F.
What is the InChIKey of 1,2,3,4,5,6,7,8-octafluoro-9-(2,3,4,5,6-pentafluorophenyl)-9H-fluorene?
The InChIKey is GLQWBYAOHPDZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19HF13/c20-7-2-1(6-11(24)17(30)19(32)18(31)12(6)25)3-5(4(2)9(22)15(28)13(7)26)10(23)16(29)14(27)8(3)21/h1H.
What are the key properties of 1,2,3,4,5,6,7,8-octafluoro-9-(2,3,4,5,6-pentafluorophenyl)-9H-fluorene?
1,2,3,4,5,6,7,8-octafluoro-9-(2,3,4,5,6-pentafluorophenyl)-9H-fluorene has a molecular weight of 476.19 g/mol, XLogP of 6.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octafluoro-9-(2,3,4,5,6-pentafluorophenyl)-9H-fluorene is sourced from PubChem (CID 11670108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).