2,11-bis(trifluoromethyl)picene

C24H12F6 — CID 88902337

IUPAC2,11-bis(trifluoromethyl)picene
SMILESFC(F)(F)c1ccc2ccc3c(ccc4c5cc(C(F)(F)F)ccc5ccc43)c2c1
InChIInChI=1S/C24H12F6/c25-23(26,27)15-5-1-13-3-7-17-18-8-4-14-2-6-16(24(28,29)30)12-22(14)20(18)10-9-19(17)21(13)11-15/h1-12H
InChIKeyDJLCBDUZBLJJIN-UHFFFAOYSA-N
MW414.35 g/mol
LogP8.34
Rot. Bonds

About 2,11-bis(trifluoromethyl)picene

2,11-bis(trifluoromethyl)picene (PubChem CID 88902337) has the molecular formula C24H12F6 and a molecular weight of 414.35 g/mol. Its IUPAC name is 2,11-bis(trifluoromethyl)picene.

Molecular Properties

Compound Name2,11-bis(trifluoromethyl)picene
PubChem CID88902337
Molecular FormulaC24H12F6
Molecular Weight414.35 g/mol
Exact Mass414.08
IUPAC Name2,11-bis(trifluoromethyl)picene
SMILESFC(F)(F)c1ccc2ccc3c(ccc4c5cc(C(F)(F)F)ccc5ccc43)c2c1
InChIInChI=1S/C24H12F6/c25-23(26,27)15-5-1-13-3-7-17-18-8-4-14-2-6-16(24(28,29)30)12-22(14)20(18)10-9-19(17)21(13)11-15/h1-12H
InChIKeyDJLCBDUZBLJJIN-UHFFFAOYSA-N
XLogP8.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.35
LogP ≤ 58.34
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 2,11-bis(trifluoromethyl)picene?
The IUPAC name of 2,11-bis(trifluoromethyl)picene (CID 88902337) is 2,11-bis(trifluoromethyl)picene.
What is the SMILES notation for 2,11-bis(trifluoromethyl)picene?
The canonical SMILES for 2,11-bis(trifluoromethyl)picene is FC(F)(F)c1ccc2ccc3c(ccc4c5cc(C(F)(F)F)ccc5ccc43)c2c1.
What is the InChIKey of 2,11-bis(trifluoromethyl)picene?
The InChIKey is DJLCBDUZBLJJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F6/c25-23(26,27)15-5-1-13-3-7-17-18-8-4-14-2-6-16(24(28,29)30)12-22(14)20(18)10-9-19(17)21(13)11-15/h1-12H.
What are the key properties of 2,11-bis(trifluoromethyl)picene?
2,11-bis(trifluoromethyl)picene has a molecular weight of 414.35 g/mol, XLogP of 8.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,11-bis(trifluoromethyl)picene is sourced from PubChem (CID 88902337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).