2,3,9,10-tetrafluoropentacene

C22H10F4 — CID 57380949

IUPAC2,3,9,10-tetrafluoropentacene
SMILESFc1cc2cc3cc4cc5cc(F)c(F)cc5cc4cc3cc2cc1F
InChIInChI=1S/C22H10F4/c23-19-7-15-3-11-1-12-4-16-8-20(24)22(26)10-18(16)6-14(12)2-13(11)5-17(15)9-21(19)25/h1-10H
InChIKeyOGYLZWJFBAAUAY-UHFFFAOYSA-N
MW350.31 g/mol
LogP6.86
Rot. Bonds

About 2,3,9,10-tetrafluoropentacene

2,3,9,10-tetrafluoropentacene (PubChem CID 57380949) has the molecular formula C22H10F4 and a molecular weight of 350.31 g/mol. Its IUPAC name is 2,3,9,10-tetrafluoropentacene.

Molecular Properties

Compound Name2,3,9,10-tetrafluoropentacene
PubChem CID57380949
Molecular FormulaC22H10F4
Molecular Weight350.31 g/mol
Exact Mass350.07
IUPAC Name2,3,9,10-tetrafluoropentacene
SMILESFc1cc2cc3cc4cc5cc(F)c(F)cc5cc4cc3cc2cc1F
InChIInChI=1S/C22H10F4/c23-19-7-15-3-11-1-12-4-16-8-20(24)22(26)10-18(16)6-14(12)2-13(11)5-17(15)9-21(19)25/h1-10H
InChIKeyOGYLZWJFBAAUAY-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.31
LogP ≤ 56.86
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 2,3,9,10-tetrafluoropentacene?
The IUPAC name of 2,3,9,10-tetrafluoropentacene (CID 57380949) is 2,3,9,10-tetrafluoropentacene.
What is the SMILES notation for 2,3,9,10-tetrafluoropentacene?
The canonical SMILES for 2,3,9,10-tetrafluoropentacene is Fc1cc2cc3cc4cc5cc(F)c(F)cc5cc4cc3cc2cc1F.
What is the InChIKey of 2,3,9,10-tetrafluoropentacene?
The InChIKey is OGYLZWJFBAAUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10F4/c23-19-7-15-3-11-1-12-4-16-8-20(24)22(26)10-18(16)6-14(12)2-13(11)5-17(15)9-21(19)25/h1-10H.
What are the key properties of 2,3,9,10-tetrafluoropentacene?
2,3,9,10-tetrafluoropentacene has a molecular weight of 350.31 g/mol, XLogP of 6.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,9,10-tetrafluoropentacene is sourced from PubChem (CID 57380949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).