2-iodo-1,4,5,10b-tetrahydrofluoranthene

C16H13I — CID 70927824

IUPAC2-iodo-1,4,5,10b-tetrahydrofluoranthene
SMILESIC1=CC2=C3C(=CCC2)c2ccccc2C3C1
InChIInChI=1S/C16H13I/c17-11-8-10-4-3-7-14-12-5-1-2-6-13(12)15(9-11)16(10)14/h1-2,5-8,15H,3-4,9H2
InChIKeyGVDNOAUGCSRLGN-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.98
Rot. Bonds

About 2-iodo-1,4,5,10b-tetrahydrofluoranthene

2-iodo-1,4,5,10b-tetrahydrofluoranthene (PubChem CID 70927824) has the molecular formula C16H13I and a molecular weight of 332.18 g/mol. Its IUPAC name is 2-iodo-1,4,5,10b-tetrahydrofluoranthene.

Molecular Properties

Compound Name2-iodo-1,4,5,10b-tetrahydrofluoranthene
PubChem CID70927824
Molecular FormulaC16H13I
Molecular Weight332.18 g/mol
Exact Mass332.01
IUPAC Name2-iodo-1,4,5,10b-tetrahydrofluoranthene
SMILESIC1=CC2=C3C(=CCC2)c2ccccc2C3C1
InChIInChI=1S/C16H13I/c17-11-8-10-4-3-7-14-12-5-1-2-6-13(12)15(9-11)16(10)14/h1-2,5-8,15H,3-4,9H2
InChIKeyGVDNOAUGCSRLGN-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 54.98
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-iodo-1,4,5,10b-tetrahydrofluoranthene?
The IUPAC name of 2-iodo-1,4,5,10b-tetrahydrofluoranthene (CID 70927824) is 2-iodo-1,4,5,10b-tetrahydrofluoranthene.
What is the SMILES notation for 2-iodo-1,4,5,10b-tetrahydrofluoranthene?
The canonical SMILES for 2-iodo-1,4,5,10b-tetrahydrofluoranthene is IC1=CC2=C3C(=CCC2)c2ccccc2C3C1.
What is the InChIKey of 2-iodo-1,4,5,10b-tetrahydrofluoranthene?
The InChIKey is GVDNOAUGCSRLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13I/c17-11-8-10-4-3-7-14-12-5-1-2-6-13(12)15(9-11)16(10)14/h1-2,5-8,15H,3-4,9H2.
What are the key properties of 2-iodo-1,4,5,10b-tetrahydrofluoranthene?
2-iodo-1,4,5,10b-tetrahydrofluoranthene has a molecular weight of 332.18 g/mol, XLogP of 4.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1,4,5,10b-tetrahydrofluoranthene is sourced from PubChem (CID 70927824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).