6,13-difluoropentacene

C22H12F2 — CID 15952176

IUPAC6,13-difluoropentacene
SMILESFc1c2cc3ccccc3cc2c(F)c2cc3ccccc3cc12
InChIInChI=1S/C22H12F2/c23-21-17-9-13-5-1-2-6-14(13)10-18(17)22(24)20-12-16-8-4-3-7-15(16)11-19(20)21/h1-12H
InChIKeyCLYBPNPKENFTFE-UHFFFAOYSA-N
MW314.33 g/mol
LogP6.58
Rot. Bonds

About 6,13-difluoropentacene

6,13-difluoropentacene (PubChem CID 15952176) has the molecular formula C22H12F2 and a molecular weight of 314.33 g/mol. Its IUPAC name is 6,13-difluoropentacene.

Molecular Properties

Compound Name6,13-difluoropentacene
PubChem CID15952176
Molecular FormulaC22H12F2
Molecular Weight314.33 g/mol
Exact Mass314.09
IUPAC Name6,13-difluoropentacene
SMILESFc1c2cc3ccccc3cc2c(F)c2cc3ccccc3cc12
InChIInChI=1S/C22H12F2/c23-21-17-9-13-5-1-2-6-14(13)10-18(17)22(24)20-12-16-8-4-3-7-15(16)11-19(20)21/h1-12H
InChIKeyCLYBPNPKENFTFE-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.33
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,13-difluoropentacene?
The IUPAC name of 6,13-difluoropentacene (CID 15952176) is 6,13-difluoropentacene.
What is the SMILES notation for 6,13-difluoropentacene?
The canonical SMILES for 6,13-difluoropentacene is Fc1c2cc3ccccc3cc2c(F)c2cc3ccccc3cc12.
What is the InChIKey of 6,13-difluoropentacene?
The InChIKey is CLYBPNPKENFTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F2/c23-21-17-9-13-5-1-2-6-14(13)10-18(17)22(24)20-12-16-8-4-3-7-15(16)11-19(20)21/h1-12H.
What are the key properties of 6,13-difluoropentacene?
6,13-difluoropentacene has a molecular weight of 314.33 g/mol, XLogP of 6.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-difluoropentacene is sourced from PubChem (CID 15952176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).