1-(3-fluorobut-3-enyl)-4-iodobenzene

C10H10FI — CID 134402164

IUPAC1-(3-fluorobut-3-enyl)-4-iodobenzene
SMILESC=C(F)CCc1ccc(I)cc1
InChIInChI=1S/C10H10FI/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7H,1-3H2
InChIKeyBTHBJRVDXWJOPW-UHFFFAOYSA-N
MW276.09 g/mol
LogP3.71
Rot. Bonds3

About 1-(3-fluorobut-3-enyl)-4-iodobenzene

1-(3-fluorobut-3-enyl)-4-iodobenzene (PubChem CID 134402164) has the molecular formula C10H10FI and a molecular weight of 276.09 g/mol. Its IUPAC name is 1-(3-fluorobut-3-enyl)-4-iodobenzene.

Molecular Properties

Compound Name1-(3-fluorobut-3-enyl)-4-iodobenzene
PubChem CID134402164
Molecular FormulaC10H10FI
Molecular Weight276.09 g/mol
Exact Mass275.98
IUPAC Name1-(3-fluorobut-3-enyl)-4-iodobenzene
SMILESC=C(F)CCc1ccc(I)cc1
InChIInChI=1S/C10H10FI/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7H,1-3H2
InChIKeyBTHBJRVDXWJOPW-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(4-iodophenyl)but-1-en-2-ol
CID 129142686
3-(4-iodophenyl)propanethioic S-acid
CID 18003770
1,1,1-trifluoro-4-(4-iodophenyl)butan-2-one
CID 117047036
1-(4-iodophenyl)-3-phenylpropan-1-one
CID 43160297
CID 155601608
CID 155601608
4-(4-iodophenyl)butanoic acid
CID 4645427
1-(fluoromethyl)-4-iodobenzene
CID 18622345
1-(4-iodophenyl)pentan-3-ol
CID 65476724
4-(4-iodophenyl)butanoate
CID 41097881
1-iodo-4-[2-(4-methylphenyl)ethyl]benzene
CID 118487182
1-fluoro-4-(3-methylbut-3-enyl)benzene
CID 24721825
4-(4-iodophenyl)-N-methylbutanamide
CID 148600520

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobut-3-enyl)-4-iodobenzene?
The IUPAC name of 1-(3-fluorobut-3-enyl)-4-iodobenzene (CID 134402164) is 1-(3-fluorobut-3-enyl)-4-iodobenzene.
What is the SMILES notation for 1-(3-fluorobut-3-enyl)-4-iodobenzene?
The canonical SMILES for 1-(3-fluorobut-3-enyl)-4-iodobenzene is C=C(F)CCc1ccc(I)cc1.
What is the InChIKey of 1-(3-fluorobut-3-enyl)-4-iodobenzene?
The InChIKey is BTHBJRVDXWJOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FI/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7H,1-3H2.
What are the key properties of 1-(3-fluorobut-3-enyl)-4-iodobenzene?
1-(3-fluorobut-3-enyl)-4-iodobenzene has a molecular weight of 276.09 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobut-3-enyl)-4-iodobenzene is sourced from PubChem (CID 134402164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).