2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone

C8H4Br2ClFO — CID 122235406

IUPAC2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone
SMILESO=C(CBr)c1c(F)ccc(Cl)c1Br
InChIInChI=1S/C8H4Br2ClFO/c9-3-6(13)7-5(12)2-1-4(11)8(7)10/h1-2H,3H2
InChIKeyHXGWQSWCTJAKLR-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.82
Rot. Bonds2

About 2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone

2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone (PubChem CID 122235406) has the molecular formula C8H4Br2ClFO and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone
PubChem CID122235406
Molecular FormulaC8H4Br2ClFO
Molecular Weight330.38 g/mol
Exact Mass327.83
IUPAC Name2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone
SMILESO=C(CBr)c1c(F)ccc(Cl)c1Br
InChIInChI=1S/C8H4Br2ClFO/c9-3-6(13)7-5(12)2-1-4(11)8(7)10/h1-2H,3H2
InChIKeyHXGWQSWCTJAKLR-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(2-bromo-6-fluoro-3-hydroxyphenyl)ethanone
CID 130981592
2-bromo-1-(2,3,6-trichlorophenyl)ethanone
CID 82629678
1-(3-amino-2-bromo-6-chlorophenyl)-2-bromoethanone
CID 171012372
2-bromo-1-(2-bromo-3,4-dichlorophenyl)ethanone
CID 171004805
2-bromo-1-(3,6-difluoro-2-nitrophenyl)ethanone
CID 131580407
2-bromo-1-(2-chloro-6-fluoro-3-methoxyphenyl)ethanone
CID 171007000
2-bromo-1-(2,3-dichloro-6-methylphenyl)ethanone
CID 130822903
2-bromo-1-(2,3-diamino-6-fluorophenyl)ethanone
CID 171025263
2-bromo-1-(2,3-dichloro-6-iodophenyl)ethanone
CID 171006521
2-bromo-1-(2-chloro-4,6-difluorophenyl)ethanone
CID 131094732
2-bromo-1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanone
CID 171007152
2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone
CID 122237020

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone?
The IUPAC name of 2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone (CID 122235406) is 2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone?
The canonical SMILES for 2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone is O=C(CBr)c1c(F)ccc(Cl)c1Br.
What is the InChIKey of 2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone?
The InChIKey is HXGWQSWCTJAKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2ClFO/c9-3-6(13)7-5(12)2-1-4(11)8(7)10/h1-2H,3H2.
What are the key properties of 2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone?
2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone has a molecular weight of 330.38 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone is sourced from PubChem (CID 122235406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).