3-fluoroperylene

C20H11F — CID 10978520

IUPAC3-fluoroperylene
SMILESFc1ccc2c3cccc4cccc(c5cccc1c52)c43
InChIInChI=1S/C20H11F/c21-18-11-10-16-14-7-2-5-12-4-1-6-13(19(12)14)15-8-3-9-17(18)20(15)16/h1-11H
InChIKeyKHQVINBSTARIFR-UHFFFAOYSA-N
MW270.31 g/mol
LogP5.88
Rot. Bonds

About 3-fluoroperylene

3-fluoroperylene (PubChem CID 10978520) has the molecular formula C20H11F and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-fluoroperylene.

Molecular Properties

Compound Name3-fluoroperylene
PubChem CID10978520
Molecular FormulaC20H11F
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name3-fluoroperylene
SMILESFc1ccc2c3cccc4cccc(c5cccc1c52)c43
InChIInChI=1S/C20H11F/c21-18-11-10-16-14-7-2-5-12-4-1-6-13(19(12)14)15-8-3-9-17(18)20(15)16/h1-11H
InChIKeyKHQVINBSTARIFR-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.31
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoroperylene?
The IUPAC name of 3-fluoroperylene (CID 10978520) is 3-fluoroperylene.
What is the SMILES notation for 3-fluoroperylene?
The canonical SMILES for 3-fluoroperylene is Fc1ccc2c3cccc4cccc(c5cccc1c52)c43.
What is the InChIKey of 3-fluoroperylene?
The InChIKey is KHQVINBSTARIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F/c21-18-11-10-16-14-7-2-5-12-4-1-6-13(19(12)14)15-8-3-9-17(18)20(15)16/h1-11H.
What are the key properties of 3-fluoroperylene?
3-fluoroperylene has a molecular weight of 270.31 g/mol, XLogP of 5.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoroperylene is sourced from PubChem (CID 10978520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).