2-fluoro-7-iodo-10b,10c-dihydropyrene

C16H10FI — CID 170014580

IUPAC2-fluoro-7-iodo-10b,10c-dihydropyrene
SMILESFC1=CC2=CC=C3C=C(I)C=C4C=CC(=C1)C2C34
InChIInChI=1S/C16H10FI/c17-13-5-9-1-3-11-7-14(18)8-12-4-2-10(6-13)15(9)16(11)12/h1-8,15-16H
InChIKeyHGEKQEZMHXOFSW-UHFFFAOYSA-N
MW348.16 g/mol
LogP4.71
Rot. Bonds

About 2-fluoro-7-iodo-10b,10c-dihydropyrene

2-fluoro-7-iodo-10b,10c-dihydropyrene (PubChem CID 170014580) has the molecular formula C16H10FI and a molecular weight of 348.16 g/mol. Its IUPAC name is 2-fluoro-7-iodo-10b,10c-dihydropyrene.

Molecular Properties

Compound Name2-fluoro-7-iodo-10b,10c-dihydropyrene
PubChem CID170014580
Molecular FormulaC16H10FI
Molecular Weight348.16 g/mol
Exact Mass347.98
IUPAC Name2-fluoro-7-iodo-10b,10c-dihydropyrene
SMILESFC1=CC2=CC=C3C=C(I)C=C4C=CC(=C1)C2C34
InChIInChI=1S/C16H10FI/c17-13-5-9-1-3-11-7-14(18)8-12-4-2-10(6-13)15(9)16(11)12/h1-8,15-16H
InChIKeyHGEKQEZMHXOFSW-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 2-fluoro-7-iodo-10b,10c-dihydropyrene?
The IUPAC name of 2-fluoro-7-iodo-10b,10c-dihydropyrene (CID 170014580) is 2-fluoro-7-iodo-10b,10c-dihydropyrene.
What is the SMILES notation for 2-fluoro-7-iodo-10b,10c-dihydropyrene?
The canonical SMILES for 2-fluoro-7-iodo-10b,10c-dihydropyrene is FC1=CC2=CC=C3C=C(I)C=C4C=CC(=C1)C2C34.
What is the InChIKey of 2-fluoro-7-iodo-10b,10c-dihydropyrene?
The InChIKey is HGEKQEZMHXOFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FI/c17-13-5-9-1-3-11-7-14(18)8-12-4-2-10(6-13)15(9)16(11)12/h1-8,15-16H.
What are the key properties of 2-fluoro-7-iodo-10b,10c-dihydropyrene?
2-fluoro-7-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 2-fluoro-7-iodo-10b,10c-dihydropyrene is sourced from PubChem (CID 170014580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).