(5-bromo-4-fluoro-2-methylphenyl)methyl acetate

C10H10BrFO2 — CID 151171020

IUPAC(5-bromo-4-fluoro-2-methylphenyl)methyl acetate
SMILESCC(=O)OCc1cc(Br)c(F)cc1C
InChIInChI=1S/C10H10BrFO2/c1-6-3-10(12)9(11)4-8(6)5-14-7(2)13/h3-4H,5H2,1-2H3
InChIKeyNCGQTWMHJYBRRM-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.96
Rot. Bonds2

About (5-bromo-4-fluoro-2-methylphenyl)methyl acetate

(5-bromo-4-fluoro-2-methylphenyl)methyl acetate (PubChem CID 151171020) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is (5-bromo-4-fluoro-2-methylphenyl)methyl acetate.

Molecular Properties

Compound Name(5-bromo-4-fluoro-2-methylphenyl)methyl acetate
PubChem CID151171020
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name(5-bromo-4-fluoro-2-methylphenyl)methyl acetate
SMILESCC(=O)OCc1cc(Br)c(F)cc1C
InChIInChI=1S/C10H10BrFO2/c1-6-3-10(12)9(11)4-8(6)5-14-7(2)13/h3-4H,5H2,1-2H3
InChIKeyNCGQTWMHJYBRRM-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

Methyl 4-bromo-2-fluoro-6-methylbenzoate
CID 71744219
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CID 11310750
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4-Bromo-1-fluoro-2-(methoxymethyl)benzene
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7-bromo-3,4-dihydro-1H-2-benzopyran
CID 10560525
4-Bromo-2-fluoro-1-(methoxymethyl)benzene
CID 21647637
Methyl 4-bromo-5-fluoro-2-methylbenzoate
CID 56965486
1-Bromo-2-fluoro-3-(methoxymethyl)benzene
CID 70660929
Methyl 4-bromo-2-(bromomethyl)-5-fluorobenzoate
CID 86722851
Ethyl 3-bromo-2-fluoro-6-methylbenzoate
CID 127000433
Methyl 4-bromo-2-ethyl-3-fluorobenzoate
CID 130064469
2-(4-Bromo-2-methylphenyl)oxirane
CID 130949620

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-fluoro-2-methylphenyl)methyl acetate?
The IUPAC name of (5-bromo-4-fluoro-2-methylphenyl)methyl acetate (CID 151171020) is (5-bromo-4-fluoro-2-methylphenyl)methyl acetate.
What is the SMILES notation for (5-bromo-4-fluoro-2-methylphenyl)methyl acetate?
The canonical SMILES for (5-bromo-4-fluoro-2-methylphenyl)methyl acetate is CC(=O)OCc1cc(Br)c(F)cc1C.
What is the InChIKey of (5-bromo-4-fluoro-2-methylphenyl)methyl acetate?
The InChIKey is NCGQTWMHJYBRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-6-3-10(12)9(11)4-8(6)5-14-7(2)13/h3-4H,5H2,1-2H3.
What are the key properties of (5-bromo-4-fluoro-2-methylphenyl)methyl acetate?
(5-bromo-4-fluoro-2-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-4-fluoro-2-methylphenyl)methyl acetate is sourced from PubChem (CID 151171020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).