1-bromo-4-(difluoromethyl)-5-fluoro-2-iodobenzene

C7H3BrF3I — CID 171033090

IUPAC1-bromo-4-(difluoromethyl)-5-fluoro-2-iodobenzene
SMILESFc1cc(Br)c(I)cc1C(F)F
InChIInChI=1S/C7H3BrF3I/c8-4-2-5(9)3(7(10)11)1-6(4)12/h1-2,7H
InChIKeyPMQQNDFOECOPJF-UHFFFAOYSA-N
MW350.90 g/mol
LogP4.13
Rot. Bonds1

About 1-bromo-4-(difluoromethyl)-5-fluoro-2-iodobenzene

1-bromo-4-(difluoromethyl)-5-fluoro-2-iodobenzene (PubChem CID 171033090) has the molecular formula C7H3BrF3I and a molecular weight of 350.90 g/mol. Its IUPAC name is 1-bromo-4-(difluoromethyl)-5-fluoro-2-iodobenzene.

Molecular Properties

Compound Name1-bromo-4-(difluoromethyl)-5-fluoro-2-iodobenzene
PubChem CID171033090
Molecular FormulaC7H3BrF3I
Molecular Weight350.90 g/mol
Exact Mass349.84
IUPAC Name1-bromo-4-(difluoromethyl)-5-fluoro-2-iodobenzene
SMILESFc1cc(Br)c(I)cc1C(F)F
InChIInChI=1S/C7H3BrF3I/c8-4-2-5(9)3(7(10)11)1-6(4)12/h1-2,7H
InChIKeyPMQQNDFOECOPJF-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.90
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-chloro-5-fluoro-2-iodobenzene
CID 50999479
4-bromo-2-fluoro-5-iodobenzenethiol
CID 171005155
4-bromo-5-(difluoromethyl)-2-fluorophenol
CID 119008517
1-bromo-5-(difluoromethyl)-4-iodo-2-methylbenzene
CID 171033406
1-bromo-5-chloro-4-fluoro-2-iodobenzene
CID 50998080
2-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine
CID 118997432
N-[(4-bromo-2-fluoro-5-iodophenyl)methyl]propan-2-amine
CID 130626920
1-chloro-4-(difluoromethyl)-2-fluoro-5-iodobenzene
CID 171003742
4-bromo-2-(difluoromethyl)-1-fluorobenzene
CID 2761161
5-bromo-2-(difluoromethyl)-4-iodopyridine
CID 130095026
3-bromo-4-(difluoromethyl)phenol
CID 84688064
1-bromo-2,5-difluoro-4-propan-2-ylbenzene
CID 58333577

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(difluoromethyl)-5-fluoro-2-iodobenzene?
The IUPAC name of 1-bromo-4-(difluoromethyl)-5-fluoro-2-iodobenzene (CID 171033090) is 1-bromo-4-(difluoromethyl)-5-fluoro-2-iodobenzene.
What is the SMILES notation for 1-bromo-4-(difluoromethyl)-5-fluoro-2-iodobenzene?
The canonical SMILES for 1-bromo-4-(difluoromethyl)-5-fluoro-2-iodobenzene is Fc1cc(Br)c(I)cc1C(F)F.
What is the InChIKey of 1-bromo-4-(difluoromethyl)-5-fluoro-2-iodobenzene?
The InChIKey is PMQQNDFOECOPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3I/c8-4-2-5(9)3(7(10)11)1-6(4)12/h1-2,7H.
What are the key properties of 1-bromo-4-(difluoromethyl)-5-fluoro-2-iodobenzene?
1-bromo-4-(difluoromethyl)-5-fluoro-2-iodobenzene has a molecular weight of 350.90 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(difluoromethyl)-5-fluoro-2-iodobenzene is sourced from PubChem (CID 171033090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).