1-fluoro-2-(3-iodoprop-1-en-2-yl)benzene

C9H8FI — CID 140862790

IUPAC1-fluoro-2-(3-iodoprop-1-en-2-yl)benzene
SMILESC=C(CI)c1ccccc1F
InChIInChI=1S/C9H8FI/c1-7(6-11)8-4-2-3-5-9(8)10/h2-5H,1,6H2
InChIKeyBIRRDOPNTFKIKJ-UHFFFAOYSA-N
MW262.06 g/mol
LogP3.27
Rot. Bonds2

About 1-fluoro-2-(3-iodoprop-1-en-2-yl)benzene

1-fluoro-2-(3-iodoprop-1-en-2-yl)benzene (PubChem CID 140862790) has the molecular formula C9H8FI and a molecular weight of 262.06 g/mol. Its IUPAC name is 1-fluoro-2-(3-iodoprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1-fluoro-2-(3-iodoprop-1-en-2-yl)benzene
PubChem CID140862790
Molecular FormulaC9H8FI
Molecular Weight262.06 g/mol
Exact Mass261.97
IUPAC Name1-fluoro-2-(3-iodoprop-1-en-2-yl)benzene
SMILESC=C(CI)c1ccccc1F
InChIInChI=1S/C9H8FI/c1-7(6-11)8-4-2-3-5-9(8)10/h2-5H,1,6H2
InChIKeyBIRRDOPNTFKIKJ-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.06
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluoro-2-(3-iodoprop-1-en-2-yl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-difluoro-3-(3-iodoprop-1-en-2-yl)benzene
CID 18993725
1-fluoro-2-(1-iodoethenyl)benzene
CID 134999703
2-(2,3-difluorophenyl)prop-2-en-1-ol
CID 118140885
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
2-but-3-enoxy-1-(2-fluorophenyl)ethanone
CID 62030066
1-(2-fluorophenyl)-N-methoxyethenamine
CID 57082075
2-fluoro-N-(2-fluorobenzoyl)-N-(2-methylprop-2-enyl)benzamide
CID 91711960
N-(2-bromoprop-2-enyl)-2-fluorobenzamide
CID 115594605
5-[5-(2-fluorophenyl)hexa-1,5-dien-2-yl]-1H-indole
CID 139563099
1-dec-1-en-3-yn-2-yl-2-fluorobenzene
CID 172559597
2-fluorobenzoyl chloride
CID 9808
2-(2-fluorophenyl)ethene-1,1,2-tricarbonitrile
CID 91181547

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(3-iodoprop-1-en-2-yl)benzene?
The IUPAC name of 1-fluoro-2-(3-iodoprop-1-en-2-yl)benzene (CID 140862790) is 1-fluoro-2-(3-iodoprop-1-en-2-yl)benzene.
What is the SMILES notation for 1-fluoro-2-(3-iodoprop-1-en-2-yl)benzene?
The canonical SMILES for 1-fluoro-2-(3-iodoprop-1-en-2-yl)benzene is C=C(CI)c1ccccc1F.
What is the InChIKey of 1-fluoro-2-(3-iodoprop-1-en-2-yl)benzene?
The InChIKey is BIRRDOPNTFKIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FI/c1-7(6-11)8-4-2-3-5-9(8)10/h2-5H,1,6H2.
What are the key properties of 1-fluoro-2-(3-iodoprop-1-en-2-yl)benzene?
1-fluoro-2-(3-iodoprop-1-en-2-yl)benzene has a molecular weight of 262.06 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(3-iodoprop-1-en-2-yl)benzene is sourced from PubChem (CID 140862790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).