(2,6-dibromo-4-fluorophenyl)methyl acetate

C9H7Br2FO2 — CID 67016593

IUPAC(2,6-dibromo-4-fluorophenyl)methyl acetate
SMILESCC(=O)OCc1c(Br)cc(F)cc1Br
InChIInChI=1S/C9H7Br2FO2/c1-5(13)14-4-7-8(10)2-6(12)3-9(7)11/h2-3H,4H2,1H3
InChIKeyACSZRXJPUQDJNW-UHFFFAOYSA-N
MW325.96 g/mol
LogP3.41
Rot. Bonds2

About (2,6-dibromo-4-fluorophenyl)methyl acetate

(2,6-dibromo-4-fluorophenyl)methyl acetate (PubChem CID 67016593) has the molecular formula C9H7Br2FO2 and a molecular weight of 325.96 g/mol. Its IUPAC name is (2,6-dibromo-4-fluorophenyl)methyl acetate.

Molecular Properties

Compound Name(2,6-dibromo-4-fluorophenyl)methyl acetate
PubChem CID67016593
Molecular FormulaC9H7Br2FO2
Molecular Weight325.96 g/mol
Exact Mass323.88
IUPAC Name(2,6-dibromo-4-fluorophenyl)methyl acetate
SMILESCC(=O)OCc1c(Br)cc(F)cc1Br
InChIInChI=1S/C9H7Br2FO2/c1-5(13)14-4-7-8(10)2-6(12)3-9(7)11/h2-3H,4H2,1H3
InChIKeyACSZRXJPUQDJNW-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.96
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(acetyloxymethyl)-4-bromo-2,5-difluorobenzoic acid
CID 21220442
2-(aminomethyl)-3-bromo-5-fluorophenol
CID 119001457
[4-(acetyloxymethyl)-2,3,5,6-tetrafluorophenyl]methyl acetate;[2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methyl acetate
CID 162135595
(4-fluorophenyl)methyl acetate
CID 14793785
methyl 2-(2-bromo-4,6-difluorophenyl)acetate
CID 130729909
(2,6-dibromo-4-fluorophenyl)methanol
CID 58043943
ethyl 2-bromo-3-(2-bromo-4,6-difluorophenyl)propanoate
CID 83197948
(5-bromo-2-fluoro-3-methylphenyl)methyl acetate
CID 130140647
acetic acid;1,3,5-trifluorobenzene
CID 162178148
(4-fluoro-3-hydroxyphenyl)methyl acetate
CID 130354561
3-bromo-5-fluoro-2-(hydroxymethyl)phenol
CID 119021874
3-bromo-2-(bromomethyl)-5-fluorophenol
CID 119014006

Frequently Asked Questions

What is the IUPAC name of (2,6-dibromo-4-fluorophenyl)methyl acetate?
The IUPAC name of (2,6-dibromo-4-fluorophenyl)methyl acetate (CID 67016593) is (2,6-dibromo-4-fluorophenyl)methyl acetate.
What is the SMILES notation for (2,6-dibromo-4-fluorophenyl)methyl acetate?
The canonical SMILES for (2,6-dibromo-4-fluorophenyl)methyl acetate is CC(=O)OCc1c(Br)cc(F)cc1Br.
What is the InChIKey of (2,6-dibromo-4-fluorophenyl)methyl acetate?
The InChIKey is ACSZRXJPUQDJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2FO2/c1-5(13)14-4-7-8(10)2-6(12)3-9(7)11/h2-3H,4H2,1H3.
What are the key properties of (2,6-dibromo-4-fluorophenyl)methyl acetate?
(2,6-dibromo-4-fluorophenyl)methyl acetate has a molecular weight of 325.96 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dibromo-4-fluorophenyl)methyl acetate is sourced from PubChem (CID 67016593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).