1,2,3,4,5-pentafluoro-6-[5-(2,3,4,5,6-pentafluorocyclohexa-2,5-dien-1-ylidene)-4-(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,3-dien-1-yl]benzene

C23H3F15 — CID 135850259

IUPAC1,2,3,4,5-pentafluoro-6-[5-(2,3,4,5,6-pentafluorocyclohexa-2,5-dien-1-ylidene)-4-(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,3-dien-1-yl]benzene
SMILESFC1=C(F)C(F)C(F)=C(F)C1=C1C(c2c(F)c(F)c(F)c(F)c2F)=CC=C1c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C23H3F15/c24-9-6(10(25)16(31)21(36)15(9)30)3-1-2-4(7-11(26)17(32)22(37)18(33)12(7)27)5(3)8-13(28)19(34)23(38)20(35)14(8)29/h1-2,23H
InChIKeyBDZXYUFYBZWLOY-UHFFFAOYSA-N
MW564.25 g/mol
LogP8.51
Rot. Bonds2

About 1,2,3,4,5-pentafluoro-6-[5-(2,3,4,5,6-pentafluorocyclohexa-2,5-dien-1-ylidene)-4-(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,3-dien-1-yl]benzene

1,2,3,4,5-pentafluoro-6-[5-(2,3,4,5,6-pentafluorocyclohexa-2,5-dien-1-ylidene)-4-(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,3-dien-1-yl]benzene (PubChem CID 135850259) has the molecular formula C23H3F15 and a molecular weight of 564.25 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[5-(2,3,4,5,6-pentafluorocyclohexa-2,5-dien-1-ylidene)-4-(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,3-dien-1-yl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[5-(2,3,4,5,6-pentafluorocyclohexa-2,5-dien-1-ylidene)-4-(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,3-dien-1-yl]benzene
PubChem CID135850259
Molecular FormulaC23H3F15
Molecular Weight564.25 g/mol
Exact Mass564.00
IUPAC Name1,2,3,4,5-pentafluoro-6-[5-(2,3,4,5,6-pentafluorocyclohexa-2,5-dien-1-ylidene)-4-(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,3-dien-1-yl]benzene
SMILESFC1=C(F)C(F)C(F)=C(F)C1=C1C(c2c(F)c(F)c(F)c(F)c2F)=CC=C1c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C23H3F15/c24-9-6(10(25)16(31)21(36)15(9)30)3-1-2-4(7-11(26)17(32)22(37)18(33)12(7)27)5(3)8-13(28)19(34)23(38)20(35)14(8)29/h1-2,23H
InChIKeyBDZXYUFYBZWLOY-UHFFFAOYSA-N
XLogP8.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.25
LogP ≤ 58.51
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-[5-(2,3,4,5,6-pentafluorocyclohexa-2,5-dien-1-ylidene)-4-(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,3-dien-1-yl]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[5-(2,3,4,5,6-pentafluorocyclohexa-2,5-dien-1-ylidene)-4-(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,3-dien-1-yl]benzene (CID 135850259) is 1,2,3,4,5-pentafluoro-6-[5-(2,3,4,5,6-pentafluorocyclohexa-2,5-dien-1-ylidene)-4-(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,3-dien-1-yl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[5-(2,3,4,5,6-pentafluorocyclohexa-2,5-dien-1-ylidene)-4-(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,3-dien-1-yl]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[5-(2,3,4,5,6-pentafluorocyclohexa-2,5-dien-1-ylidene)-4-(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,3-dien-1-yl]benzene is FC1=C(F)C(F)C(F)=C(F)C1=C1C(c2c(F)c(F)c(F)c(F)c2F)=CC=C1c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[5-(2,3,4,5,6-pentafluorocyclohexa-2,5-dien-1-ylidene)-4-(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,3-dien-1-yl]benzene?
The InChIKey is BDZXYUFYBZWLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H3F15/c24-9-6(10(25)16(31)21(36)15(9)30)3-1-2-4(7-11(26)17(32)22(37)18(33)12(7)27)5(3)8-13(28)19(34)23(38)20(35)14(8)29/h1-2,23H.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[5-(2,3,4,5,6-pentafluorocyclohexa-2,5-dien-1-ylidene)-4-(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,3-dien-1-yl]benzene?
1,2,3,4,5-pentafluoro-6-[5-(2,3,4,5,6-pentafluorocyclohexa-2,5-dien-1-ylidene)-4-(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,3-dien-1-yl]benzene has a molecular weight of 564.25 g/mol, XLogP of 8.51, 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-[5-(2,3,4,5,6-pentafluorocyclohexa-2,5-dien-1-ylidene)-4-(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,3-dien-1-yl]benzene is sourced from PubChem (CID 135850259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).