1,2,3,4,5-pentafluoro-6-[1,1,1,6,6,6-hexafluoro-5-(2,3,4,5,6-pentafluorophenyl)hexa-2,3,4-trien-2-yl]benzene

C18F16 — CID 10324378

IUPAC1,2,3,4,5-pentafluoro-6-[1,1,1,6,6,6-hexafluoro-5-(2,3,4,5,6-pentafluorophenyl)hexa-2,3,4-trien-2-yl]benzene
SMILESFc1c(F)c(F)c(C(=C=C=C(c2c(F)c(F)c(F)c(F)c2F)C(F)(F)F)C(F)(F)F)c(F)c1F
InChIInChI=1S/C18F16/c19-7-5(8(20)12(24)15(27)11(7)23)3(17(29,30)31)1-2-4(18(32,33)34)6-9(21)13(25)16(28)14(26)10(6)22/b4-3+
InChIKeyZLNGJPKMQUXQHN-ONEGZZNKSA-N
MW520.17 g/mol
LogP7.42
Rot. Bonds2

About 1,2,3,4,5-pentafluoro-6-[1,1,1,6,6,6-hexafluoro-5-(2,3,4,5,6-pentafluorophenyl)hexa-2,3,4-trien-2-yl]benzene

1,2,3,4,5-pentafluoro-6-[1,1,1,6,6,6-hexafluoro-5-(2,3,4,5,6-pentafluorophenyl)hexa-2,3,4-trien-2-yl]benzene (PubChem CID 10324378) has the molecular formula C18F16 and a molecular weight of 520.17 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[1,1,1,6,6,6-hexafluoro-5-(2,3,4,5,6-pentafluorophenyl)hexa-2,3,4-trien-2-yl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[1,1,1,6,6,6-hexafluoro-5-(2,3,4,5,6-pentafluorophenyl)hexa-2,3,4-trien-2-yl]benzene
PubChem CID10324378
Molecular FormulaC18F16
Molecular Weight520.17 g/mol
Exact Mass519.97
IUPAC Name1,2,3,4,5-pentafluoro-6-[1,1,1,6,6,6-hexafluoro-5-(2,3,4,5,6-pentafluorophenyl)hexa-2,3,4-trien-2-yl]benzene
SMILESFc1c(F)c(F)c(C(=C=C=C(c2c(F)c(F)c(F)c(F)c2F)C(F)(F)F)C(F)(F)F)c(F)c1F
InChIInChI=1S/C18F16/c19-7-5(8(20)12(24)15(27)11(7)23)3(17(29,30)31)1-2-4(18(32,33)34)6-9(21)13(25)16(28)14(26)10(6)22/b4-3+
InChIKeyZLNGJPKMQUXQHN-ONEGZZNKSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.17
LogP ≤ 57.42
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-pentafluoro-6-[1,1,1,6,6,6-hexafluoro-5-(2,3,4,5,6-pentafluorophenyl)hexa-2,3,4-trien-2-yl]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[1,1,1,6,6,6-hexafluoro-5-(2,3,4,5,6-pentafluorophenyl)hexa-2,3,4-trien-2-yl]benzene (CID 10324378) is 1,2,3,4,5-pentafluoro-6-[1,1,1,6,6,6-hexafluoro-5-(2,3,4,5,6-pentafluorophenyl)hexa-2,3,4-trien-2-yl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[1,1,1,6,6,6-hexafluoro-5-(2,3,4,5,6-pentafluorophenyl)hexa-2,3,4-trien-2-yl]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[1,1,1,6,6,6-hexafluoro-5-(2,3,4,5,6-pentafluorophenyl)hexa-2,3,4-trien-2-yl]benzene is Fc1c(F)c(F)c(C(=C=C=C(c2c(F)c(F)c(F)c(F)c2F)C(F)(F)F)C(F)(F)F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[1,1,1,6,6,6-hexafluoro-5-(2,3,4,5,6-pentafluorophenyl)hexa-2,3,4-trien-2-yl]benzene?
The InChIKey is ZLNGJPKMQUXQHN-ONEGZZNKSA-N. The full InChI is InChI=1S/C18F16/c19-7-5(8(20)12(24)15(27)11(7)23)3(17(29,30)31)1-2-4(18(32,33)34)6-9(21)13(25)16(28)14(26)10(6)22/b4-3+.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[1,1,1,6,6,6-hexafluoro-5-(2,3,4,5,6-pentafluorophenyl)hexa-2,3,4-trien-2-yl]benzene?
1,2,3,4,5-pentafluoro-6-[1,1,1,6,6,6-hexafluoro-5-(2,3,4,5,6-pentafluorophenyl)hexa-2,3,4-trien-2-yl]benzene has a molecular weight of 520.17 g/mol, XLogP of 7.42, 2 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-pentafluoro-6-[1,1,1,6,6,6-hexafluoro-5-(2,3,4,5,6-pentafluorophenyl)hexa-2,3,4-trien-2-yl]benzene is sourced from PubChem (CID 10324378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).