(5-bromo-2-fluoro-3-methylphenyl)methyl acetate

C10H10BrFO2 — CID 130140647

IUPAC(5-bromo-2-fluoro-3-methylphenyl)methyl acetate
SMILESCC(=O)OCc1cc(Br)cc(C)c1F
InChIInChI=1S/C10H10BrFO2/c1-6-3-9(11)4-8(10(6)12)5-14-7(2)13/h3-4H,5H2,1-2H3
InChIKeyHXEOVYSQUNJOBI-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.96
Rot. Bonds2

About (5-bromo-2-fluoro-3-methylphenyl)methyl acetate

(5-bromo-2-fluoro-3-methylphenyl)methyl acetate (PubChem CID 130140647) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is (5-bromo-2-fluoro-3-methylphenyl)methyl acetate.

Molecular Properties

Compound Name(5-bromo-2-fluoro-3-methylphenyl)methyl acetate
PubChem CID130140647
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name(5-bromo-2-fluoro-3-methylphenyl)methyl acetate
SMILESCC(=O)OCc1cc(Br)cc(C)c1F
InChIInChI=1S/C10H10BrFO2/c1-6-3-9(11)4-8(10(6)12)5-14-7(2)13/h3-4H,5H2,1-2H3
InChIKeyHXEOVYSQUNJOBI-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(acetyloxymethyl)-3-bromo-2,4-dimethylphenyl]methyl acetate
CID 86673308
N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine
CID 84796697
3-(5-bromo-2-fluoro-3-methylphenyl)propan-1-ol
CID 117369472
3-(5-bromo-2-fluoro-3-methylphenyl)propanal
CID 117363991
(5-bromo-2-chloro-4-methylphenyl)methyl acetate
CID 89492645
1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117398401
(3,4-difluoro-2-methylphenyl)methyl acetate
CID 130139606
(2,6-dibromo-4-fluorophenyl)methyl acetate
CID 67016593
ethyl 2-(3,5-dibromo-2-fluorophenyl)acetate
CID 121228103
ethyl 3-amino-3-(5-bromo-2-fluoro-3-methylphenyl)propanoate;hydrochloride
CID 175588063
(2,4-dihydroxyphenyl)methyl acetate
CID 102447193
ethane;(2-methylphenyl)methyl acetate
CID 143177732

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluoro-3-methylphenyl)methyl acetate?
The IUPAC name of (5-bromo-2-fluoro-3-methylphenyl)methyl acetate (CID 130140647) is (5-bromo-2-fluoro-3-methylphenyl)methyl acetate.
What is the SMILES notation for (5-bromo-2-fluoro-3-methylphenyl)methyl acetate?
The canonical SMILES for (5-bromo-2-fluoro-3-methylphenyl)methyl acetate is CC(=O)OCc1cc(Br)cc(C)c1F.
What is the InChIKey of (5-bromo-2-fluoro-3-methylphenyl)methyl acetate?
The InChIKey is HXEOVYSQUNJOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-6-3-9(11)4-8(10(6)12)5-14-7(2)13/h3-4H,5H2,1-2H3.
What are the key properties of (5-bromo-2-fluoro-3-methylphenyl)methyl acetate?
(5-bromo-2-fluoro-3-methylphenyl)methyl acetate has a molecular weight of 261.09 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluoro-3-methylphenyl)methyl acetate is sourced from PubChem (CID 130140647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).