1,2,3,4,9,10,11,12-octafluorotetraphenylene

C24H8F8 — CID 59855591

IUPAC1,2,3,4,9,10,11,12-octafluorotetraphenylene
SMILESFc1c(F)c(F)c2c(c1F)-c1ccccc1-c1c(F)c(F)c(F)c(F)c1-c1ccccc1-2
InChIInChI=1S/C24H8F8/c25-17-13-9-5-1-2-6-10(9)14-16(20(28)24(32)22(30)18(14)26)12-8-4-3-7-11(12)15(13)19(27)23(31)21(17)29/h1-8H/b13-9+,14-10+,15-11+,16-12+
InChIKeyQTJOXTHDPVCBDV-KUWVSJDVSA-N
MW448.31 g/mol
LogP7.78
Rot. Bonds

About 1,2,3,4,9,10,11,12-octafluorotetraphenylene

1,2,3,4,9,10,11,12-octafluorotetraphenylene (PubChem CID 59855591) has the molecular formula C24H8F8 and a molecular weight of 448.31 g/mol. Its IUPAC name is 1,2,3,4,9,10,11,12-octafluorotetraphenylene.

Molecular Properties

Compound Name1,2,3,4,9,10,11,12-octafluorotetraphenylene
PubChem CID59855591
Molecular FormulaC24H8F8
Molecular Weight448.31 g/mol
Exact Mass448.05
IUPAC Name1,2,3,4,9,10,11,12-octafluorotetraphenylene
SMILESFc1c(F)c(F)c2c(c1F)-c1ccccc1-c1c(F)c(F)c(F)c(F)c1-c1ccccc1-2
InChIInChI=1S/C24H8F8/c25-17-13-9-5-1-2-6-10(9)14-16(20(28)24(32)22(30)18(14)26)12-8-4-3-7-11(12)15(13)19(27)23(31)21(17)29/h1-8H/b13-9+,14-10+,15-11+,16-12+
InChIKeyQTJOXTHDPVCBDV-KUWVSJDVSA-N
XLogP7.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.31
LogP ≤ 57.78
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 1,2,3,4,9,10,11,12-octafluorotetraphenylene?
The IUPAC name of 1,2,3,4,9,10,11,12-octafluorotetraphenylene (CID 59855591) is 1,2,3,4,9,10,11,12-octafluorotetraphenylene.
What is the SMILES notation for 1,2,3,4,9,10,11,12-octafluorotetraphenylene?
The canonical SMILES for 1,2,3,4,9,10,11,12-octafluorotetraphenylene is Fc1c(F)c(F)c2c(c1F)-c1ccccc1-c1c(F)c(F)c(F)c(F)c1-c1ccccc1-2.
What is the InChIKey of 1,2,3,4,9,10,11,12-octafluorotetraphenylene?
The InChIKey is QTJOXTHDPVCBDV-KUWVSJDVSA-N. The full InChI is InChI=1S/C24H8F8/c25-17-13-9-5-1-2-6-10(9)14-16(20(28)24(32)22(30)18(14)26)12-8-4-3-7-11(12)15(13)19(27)23(31)21(17)29/h1-8H/b13-9+,14-10+,15-11+,16-12+.
What are the key properties of 1,2,3,4,9,10,11,12-octafluorotetraphenylene?
1,2,3,4,9,10,11,12-octafluorotetraphenylene has a molecular weight of 448.31 g/mol, XLogP of 7.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,9,10,11,12-octafluorotetraphenylene is sourced from PubChem (CID 59855591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).