2-fluoropyrene

C16H9F — CID 10198343

IUPAC2-fluoropyrene
SMILESFc1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C16H9F/c17-14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H
InChIKeyGSKKBKAZBHBAJY-UHFFFAOYSA-N
MW220.25 g/mol
LogP4.72
Rot. Bonds

About 2-fluoropyrene

2-fluoropyrene (PubChem CID 10198343) has the molecular formula C16H9F and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-fluoropyrene.

Molecular Properties

Compound Name2-fluoropyrene
PubChem CID10198343
Molecular FormulaC16H9F
Molecular Weight220.25 g/mol
Exact Mass220.07
IUPAC Name2-fluoropyrene
SMILESFc1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C16H9F/c17-14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H
InChIKeyGSKKBKAZBHBAJY-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 54.72
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-fluoropyrene?
The IUPAC name of 2-fluoropyrene (CID 10198343) is 2-fluoropyrene.
What is the SMILES notation for 2-fluoropyrene?
The canonical SMILES for 2-fluoropyrene is Fc1cc2ccc3cccc4ccc(c1)c2c34.
What is the InChIKey of 2-fluoropyrene?
The InChIKey is GSKKBKAZBHBAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F/c17-14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H.
What are the key properties of 2-fluoropyrene?
2-fluoropyrene has a molecular weight of 220.25 g/mol, XLogP of 4.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropyrene is sourced from PubChem (CID 10198343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).