2,3,6,7,10,11-hexafluorotriphenylene

C18H6F6 — CID 10893042

IUPAC2,3,6,7,10,11-hexafluorotriphenylene
SMILESFc1cc2c3cc(F)c(F)cc3c3cc(F)c(F)cc3c2cc1F
InChIInChI=1S/C18H6F6/c19-13-1-7-8(2-14(13)20)10-4-17(23)18(24)6-12(10)11-5-16(22)15(21)3-9(7)11/h1-6H
InChIKeyGCVLVKDJERNTJP-UHFFFAOYSA-N
MW336.23 g/mol
LogP5.98
Rot. Bonds

About 2,3,6,7,10,11-hexafluorotriphenylene

2,3,6,7,10,11-hexafluorotriphenylene (PubChem CID 10893042) has the molecular formula C18H6F6 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2,3,6,7,10,11-hexafluorotriphenylene.

Molecular Properties

Compound Name2,3,6,7,10,11-hexafluorotriphenylene
PubChem CID10893042
Molecular FormulaC18H6F6
Molecular Weight336.23 g/mol
Exact Mass336.04
IUPAC Name2,3,6,7,10,11-hexafluorotriphenylene
SMILESFc1cc2c3cc(F)c(F)cc3c3cc(F)c(F)cc3c2cc1F
InChIInChI=1S/C18H6F6/c19-13-1-7-8(2-14(13)20)10-4-17(23)18(24)6-12(10)11-5-16(22)15(21)3-9(7)11/h1-6H
InChIKeyGCVLVKDJERNTJP-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.23
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7,10,11-hexafluorotriphenylene?
The IUPAC name of 2,3,6,7,10,11-hexafluorotriphenylene (CID 10893042) is 2,3,6,7,10,11-hexafluorotriphenylene.
What is the SMILES notation for 2,3,6,7,10,11-hexafluorotriphenylene?
The canonical SMILES for 2,3,6,7,10,11-hexafluorotriphenylene is Fc1cc2c3cc(F)c(F)cc3c3cc(F)c(F)cc3c2cc1F.
What is the InChIKey of 2,3,6,7,10,11-hexafluorotriphenylene?
The InChIKey is GCVLVKDJERNTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6F6/c19-13-1-7-8(2-14(13)20)10-4-17(23)18(24)6-12(10)11-5-16(22)15(21)3-9(7)11/h1-6H.
What are the key properties of 2,3,6,7,10,11-hexafluorotriphenylene?
2,3,6,7,10,11-hexafluorotriphenylene has a molecular weight of 336.23 g/mol, XLogP of 5.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7,10,11-hexafluorotriphenylene is sourced from PubChem (CID 10893042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).