1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone

C8H5BrClFO2 — CID 130868467

IUPAC1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone
SMILESO=C(CCl)c1c(O)ccc(Br)c1F
InChIInChI=1S/C8H5BrClFO2/c9-4-1-2-5(12)7(8(4)11)6(13)3-10/h1-2,12H,3H2
InChIKeyMTWKKVBAERSXTP-UHFFFAOYSA-N
MW267.48 g/mol
LogP2.72
Rot. Bonds2

About 1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone

1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone (PubChem CID 130868467) has the molecular formula C8H5BrClFO2 and a molecular weight of 267.48 g/mol. Its IUPAC name is 1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone.

Molecular Properties

Compound Name1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone
PubChem CID130868467
Molecular FormulaC8H5BrClFO2
Molecular Weight267.48 g/mol
Exact Mass265.91
IUPAC Name1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone
SMILESO=C(CCl)c1c(O)ccc(Br)c1F
InChIInChI=1S/C8H5BrClFO2/c9-4-1-2-5(12)7(8(4)11)6(13)3-10/h1-2,12H,3H2
InChIKeyMTWKKVBAERSXTP-UHFFFAOYSA-N
XLogP2.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-6-bromo-2-fluorophenyl)-2-chloroethanone
CID 171016467
2-chloro-1-(2,3-difluoro-4-hydroxyphenyl)ethanone
CID 130769171
1-[4-bromo-3-fluoro-2-(trifluoromethyl)phenyl]-2-chloroethanone
CID 171001615
1-(3-bromo-2-fluoro-6-hydroxyphenyl)propan-2-one
CID 83900104
1-(4-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone
CID 130777818
1-(3-bromo-6-chloro-2-fluorophenyl)ethanone
CID 83409943
2-chloro-1-(6-chloro-2-fluoro-3-methylphenyl)ethanone
CID 130775413
4-bromo-3-fluoro-2-[(1-hydroxycyclopropyl)methyl]phenol
CID 117406412
3-bromo-2,6-difluorobenzoyl chloride
CID 51000132
2-chloro-1-(3,6-difluoro-2-hydroxyphenyl)ethanone
CID 131169270
1-(2-amino-3-bromo-6-chlorophenyl)-2-chloroethanone
CID 171011539
1-(3-amino-2-chloro-6-hydroxyphenyl)-2-chloroethanone
CID 171022603

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone?
The IUPAC name of 1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone (CID 130868467) is 1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone.
What is the SMILES notation for 1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone?
The canonical SMILES for 1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone is O=C(CCl)c1c(O)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone?
The InChIKey is MTWKKVBAERSXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClFO2/c9-4-1-2-5(12)7(8(4)11)6(13)3-10/h1-2,12H,3H2.
What are the key properties of 1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone?
1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone has a molecular weight of 267.48 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone is sourced from PubChem (CID 130868467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).