1-bromo-4-fluoro-2-(2-iodoethyl)benzene

C8H7BrFI — CID 129177229

IUPAC1-bromo-4-fluoro-2-(2-iodoethyl)benzene
SMILESFc1ccc(Br)c(CCI)c1
InChIInChI=1S/C8H7BrFI/c9-8-2-1-7(10)5-6(8)3-4-11/h1-2,5H,3-4H2
InChIKeyMOABVDWZKLIUCF-UHFFFAOYSA-N
MW328.95 g/mol
LogP3.57
Rot. Bonds2

About 1-bromo-4-fluoro-2-(2-iodoethyl)benzene

1-bromo-4-fluoro-2-(2-iodoethyl)benzene (PubChem CID 129177229) has the molecular formula C8H7BrFI and a molecular weight of 328.95 g/mol. Its IUPAC name is 1-bromo-4-fluoro-2-(2-iodoethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-fluoro-2-(2-iodoethyl)benzene
PubChem CID129177229
Molecular FormulaC8H7BrFI
Molecular Weight328.95 g/mol
Exact Mass327.88
IUPAC Name1-bromo-4-fluoro-2-(2-iodoethyl)benzene
SMILESFc1ccc(Br)c(CCI)c1
InChIInChI=1S/C8H7BrFI/c9-8-2-1-7(10)5-6(8)3-4-11/h1-2,5H,3-4H2
InChIKeyMOABVDWZKLIUCF-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.95
LogP ≤ 53.57
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

1,4-difluoro-2-(2-iodoethyl)benzene
CID 147661564
3-(2-bromo-5-fluorophenyl)propanal
CID 53434280
3-(2-bromo-5-fluorophenyl)propanenitrile
CID 53434281
O-[2-(2-bromo-5-fluorophenyl)ethyl]hydroxylamine
CID 117339724
2-(2-bromo-5-fluorophenyl)ethanesulfonic acid
CID 86621556
1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene
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4-(2-bromo-5-fluorophenyl)-2-methylbutanal
CID 64664097
N-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide
CID 66717796
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714
2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid
CID 150275747
3-[(2-bromo-5-fluorophenyl)methyl]-3-fluoroazetidine
CID 112563367
1-bromo-4-fluoro-2-[(sulfamoylamino)methyl]benzene
CID 112686127

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-fluoro-2-(2-iodoethyl)benzene?
The IUPAC name of 1-bromo-4-fluoro-2-(2-iodoethyl)benzene (CID 129177229) is 1-bromo-4-fluoro-2-(2-iodoethyl)benzene.
What is the SMILES notation for 1-bromo-4-fluoro-2-(2-iodoethyl)benzene?
The canonical SMILES for 1-bromo-4-fluoro-2-(2-iodoethyl)benzene is Fc1ccc(Br)c(CCI)c1.
What is the InChIKey of 1-bromo-4-fluoro-2-(2-iodoethyl)benzene?
The InChIKey is MOABVDWZKLIUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFI/c9-8-2-1-7(10)5-6(8)3-4-11/h1-2,5H,3-4H2.
What are the key properties of 1-bromo-4-fluoro-2-(2-iodoethyl)benzene?
1-bromo-4-fluoro-2-(2-iodoethyl)benzene has a molecular weight of 328.95 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-fluoro-2-(2-iodoethyl)benzene is sourced from PubChem (CID 129177229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).