1-fluoro-2-iodo-10b,10c-dihydropyrene

C16H10FI — CID 170014548

IUPAC1-fluoro-2-iodo-10b,10c-dihydropyrene
SMILESFC1=C2C=CC3=CC=CC4=CC=C(C=C1I)C2C34
InChIInChI=1S/C16H10FI/c17-16-12-7-6-10-3-1-2-9-4-5-11(8-13(16)18)15(12)14(9)10/h1-8,14-15H
InChIKeySCYDDLIDWAAPLG-UHFFFAOYSA-N
MW348.16 g/mol
LogP4.71
Rot. Bonds

About 1-fluoro-2-iodo-10b,10c-dihydropyrene

1-fluoro-2-iodo-10b,10c-dihydropyrene (PubChem CID 170014548) has the molecular formula C16H10FI and a molecular weight of 348.16 g/mol. Its IUPAC name is 1-fluoro-2-iodo-10b,10c-dihydropyrene.

Molecular Properties

Compound Name1-fluoro-2-iodo-10b,10c-dihydropyrene
PubChem CID170014548
Molecular FormulaC16H10FI
Molecular Weight348.16 g/mol
Exact Mass347.98
IUPAC Name1-fluoro-2-iodo-10b,10c-dihydropyrene
SMILESFC1=C2C=CC3=CC=CC4=CC=C(C=C1I)C2C34
InChIInChI=1S/C16H10FI/c17-16-12-7-6-10-3-1-2-9-4-5-11(8-13(16)18)15(12)14(9)10/h1-8,14-15H
InChIKeySCYDDLIDWAAPLG-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-iodo-10b,10c-dihydropyrene?
The IUPAC name of 1-fluoro-2-iodo-10b,10c-dihydropyrene (CID 170014548) is 1-fluoro-2-iodo-10b,10c-dihydropyrene.
What is the SMILES notation for 1-fluoro-2-iodo-10b,10c-dihydropyrene?
The canonical SMILES for 1-fluoro-2-iodo-10b,10c-dihydropyrene is FC1=C2C=CC3=CC=CC4=CC=C(C=C1I)C2C34.
What is the InChIKey of 1-fluoro-2-iodo-10b,10c-dihydropyrene?
The InChIKey is SCYDDLIDWAAPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FI/c17-16-12-7-6-10-3-1-2-9-4-5-11(8-13(16)18)15(12)14(9)10/h1-8,14-15H.
What are the key properties of 1-fluoro-2-iodo-10b,10c-dihydropyrene?
1-fluoro-2-iodo-10b,10c-dihydropyrene has a molecular weight of 348.16 g/mol, XLogP of 4.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-iodo-10b,10c-dihydropyrene is sourced from PubChem (CID 170014548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).