1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene

C7H4BrClF2 — CID 174572103

IUPAC1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene
SMILESFc1cc(Cl)ccc1C(F)Br
InChIInChI=1S/C7H4BrClF2/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3,7H
InChIKeyXXBUTVAQEGBZHF-UHFFFAOYSA-N
MW241.46 g/mol
LogP3.84
Rot. Bonds1

About 1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene

1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene (PubChem CID 174572103) has the molecular formula C7H4BrClF2 and a molecular weight of 241.46 g/mol. Its IUPAC name is 1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene
PubChem CID174572103
Molecular FormulaC7H4BrClF2
Molecular Weight241.46 g/mol
Exact Mass239.92
IUPAC Name1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene
SMILESFc1cc(Cl)ccc1C(F)Br
InChIInChI=1S/C7H4BrClF2/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3,7H
InChIKeyXXBUTVAQEGBZHF-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2-fluorophenyl)-2-fluoroethanamine
CID 112562799
1-butan-2-yl-4-chloro-2-fluorobenzene
CID 54159004
1-[bromo-(4-methylphenyl)methyl]-4-chloro-2-fluorobenzene
CID 63437001
1-[bromo-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304158
1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine
CID 103759854
(1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171161283
3-bromo-1-(4-chloro-2-fluorophenyl)propane-1,2-diol
CID 171859552
(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55276652
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-4-chloro-2-methylbenzene
CID 114028122
(2R,3R)-3-amino-3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171159862
(4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol
CID 115827844
(4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 61101398

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene?
The IUPAC name of 1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene (CID 174572103) is 1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene.
What is the SMILES notation for 1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene?
The canonical SMILES for 1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene is Fc1cc(Cl)ccc1C(F)Br.
What is the InChIKey of 1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene?
The InChIKey is XXBUTVAQEGBZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3,7H.
What are the key properties of 1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene?
1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene has a molecular weight of 241.46 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene is sourced from PubChem (CID 174572103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).