1-fluoro-3-[(E)-3-iodobut-1-enyl]benzene

C10H10FI — CID 142022968

IUPAC1-fluoro-3-[(E)-3-iodobut-1-enyl]benzene
SMILESCC(I)/C=C/c1cccc(F)c1
InChIInChI=1S/C10H10FI/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-8H,1H3/b6-5+
InChIKeySBNQLLAZFYBFLQ-AATRIKPKSA-N
MW276.09 g/mol
LogP3.66
Rot. Bonds2

About 1-fluoro-3-[(E)-3-iodobut-1-enyl]benzene

1-fluoro-3-[(E)-3-iodobut-1-enyl]benzene (PubChem CID 142022968) has the molecular formula C10H10FI and a molecular weight of 276.09 g/mol. Its IUPAC name is 1-fluoro-3-[(E)-3-iodobut-1-enyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[(E)-3-iodobut-1-enyl]benzene
PubChem CID142022968
Molecular FormulaC10H10FI
Molecular Weight276.09 g/mol
Exact Mass275.98
IUPAC Name1-fluoro-3-[(E)-3-iodobut-1-enyl]benzene
SMILESCC(I)/C=C/c1cccc(F)c1
InChIInChI=1S/C10H10FI/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-8H,1H3/b6-5+
InChIKeySBNQLLAZFYBFLQ-AATRIKPKSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 53.66
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'}

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Related Compounds

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1-bromo-3-[(E)-3,3-dimethylbut-1-enyl]benzene;1-[(E)-3,3-dimethylbut-1-enyl]-3-fluorobenzene
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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[(E)-3-iodobut-1-enyl]benzene?
The IUPAC name of 1-fluoro-3-[(E)-3-iodobut-1-enyl]benzene (CID 142022968) is 1-fluoro-3-[(E)-3-iodobut-1-enyl]benzene.
What is the SMILES notation for 1-fluoro-3-[(E)-3-iodobut-1-enyl]benzene?
The canonical SMILES for 1-fluoro-3-[(E)-3-iodobut-1-enyl]benzene is CC(I)/C=C/c1cccc(F)c1.
What is the InChIKey of 1-fluoro-3-[(E)-3-iodobut-1-enyl]benzene?
The InChIKey is SBNQLLAZFYBFLQ-AATRIKPKSA-N. The full InChI is InChI=1S/C10H10FI/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-8H,1H3/b6-5+.
What are the key properties of 1-fluoro-3-[(E)-3-iodobut-1-enyl]benzene?
1-fluoro-3-[(E)-3-iodobut-1-enyl]benzene has a molecular weight of 276.09 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[(E)-3-iodobut-1-enyl]benzene is sourced from PubChem (CID 142022968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).