1-fluoro-6-iodo-10b,10c-dihydropyrene

C16H10FI — CID 170014570

IUPAC1-fluoro-6-iodo-10b,10c-dihydropyrene
SMILESFC1=C2C=CC3=CC=C(I)C4=CC=C(C=C1)C2C34
InChIInChI=1S/C16H10FI/c17-13-7-3-9-2-6-12-14(18)8-4-10-1-5-11(13)15(9)16(10)12/h1-8,15-16H
InChIKeyZVUXVBBFMZWCHV-UHFFFAOYSA-N
MW348.16 g/mol
LogP4.71
Rot. Bonds

About 1-fluoro-6-iodo-10b,10c-dihydropyrene

1-fluoro-6-iodo-10b,10c-dihydropyrene (PubChem CID 170014570) has the molecular formula C16H10FI and a molecular weight of 348.16 g/mol. Its IUPAC name is 1-fluoro-6-iodo-10b,10c-dihydropyrene.

Molecular Properties

Compound Name1-fluoro-6-iodo-10b,10c-dihydropyrene
PubChem CID170014570
Molecular FormulaC16H10FI
Molecular Weight348.16 g/mol
Exact Mass347.98
IUPAC Name1-fluoro-6-iodo-10b,10c-dihydropyrene
SMILESFC1=C2C=CC3=CC=C(I)C4=CC=C(C=C1)C2C34
InChIInChI=1S/C16H10FI/c17-13-7-3-9-2-6-12-14(18)8-4-10-1-5-11(13)15(9)16(10)12/h1-8,15-16H
InChIKeyZVUXVBBFMZWCHV-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-6-iodo-10b,10c-dihydropyrene?
The IUPAC name of 1-fluoro-6-iodo-10b,10c-dihydropyrene (CID 170014570) is 1-fluoro-6-iodo-10b,10c-dihydropyrene.
What is the SMILES notation for 1-fluoro-6-iodo-10b,10c-dihydropyrene?
The canonical SMILES for 1-fluoro-6-iodo-10b,10c-dihydropyrene is FC1=C2C=CC3=CC=C(I)C4=CC=C(C=C1)C2C34.
What is the InChIKey of 1-fluoro-6-iodo-10b,10c-dihydropyrene?
The InChIKey is ZVUXVBBFMZWCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FI/c17-13-7-3-9-2-6-12-14(18)8-4-10-1-5-11(13)15(9)16(10)12/h1-8,15-16H.
What are the key properties of 1-fluoro-6-iodo-10b,10c-dihydropyrene?
1-fluoro-6-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-6-iodo-10b,10c-dihydropyrene is sourced from PubChem (CID 170014570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).