methyl 2-(3-bromo-4-fluorophenyl)-2-methylpropanoate

C11H12BrFO2 — CID 105426665

IUPACmethyl 2-(3-bromo-4-fluorophenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H12BrFO2/c1-11(2,10(14)15-3)7-4-5-9(13)8(12)6-7/h4-6H,1-3H3
InChIKeyMJSMHAGSXUGTBH-UHFFFAOYSA-N
MW275.12 g/mol
LogP3.04
Rot. Bonds2

About methyl 2-(3-bromo-4-fluorophenyl)-2-methylpropanoate

methyl 2-(3-bromo-4-fluorophenyl)-2-methylpropanoate (PubChem CID 105426665) has the molecular formula C11H12BrFO2 and a molecular weight of 275.12 g/mol. Its IUPAC name is methyl 2-(3-bromo-4-fluorophenyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(3-bromo-4-fluorophenyl)-2-methylpropanoate
PubChem CID105426665
Molecular FormulaC11H12BrFO2
Molecular Weight275.12 g/mol
Exact Mass274.00
IUPAC Namemethyl 2-(3-bromo-4-fluorophenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H12BrFO2/c1-11(2,10(14)15-3)7-4-5-9(13)8(12)6-7/h4-6H,1-3H3
InChIKeyMJSMHAGSXUGTBH-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-anilino-2-(3-bromo-4-fluorophenyl)propanoate
CID 62913154
2-bromo-4-(2,3-dimethylbut-3-en-2-yl)-1-fluorobenzene
CID 89044661
methyl 2-(3-fluoro-4-iodophenyl)-2-methylpropanoate
CID 162427253
methyl 3-(3-bromo-4-fluorophenyl)-2,2-dimethylpropanoate
CID 117275044
methyl 2-(3-bromo-4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanoate
CID 62913533
2-amino-2-(3-bromo-4-fluorophenyl)propanamide
CID 62913339
methyl 2-(3,5-dibromophenyl)-2-methylpropanoate
CID 69031555
methyl 2-(3-fluoro-4-isocyanatophenyl)-2-methylpropanoate
CID 86640268
4-(3-bromo-4-fluorophenyl)-4,4-difluoro-2,2-dimethylbutanoic acid
CID 79737032
methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate
CID 116963053
diethyl 2-[2-(3-bromo-4-fluorophenyl)propan-2-yl]propanedioate
CID 170948751
ethyl 2-(3-bromo-4-fluorophenyl)-2-(prop-2-ynylamino)propanoate
CID 62915549

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromo-4-fluorophenyl)-2-methylpropanoate?
The IUPAC name of methyl 2-(3-bromo-4-fluorophenyl)-2-methylpropanoate (CID 105426665) is methyl 2-(3-bromo-4-fluorophenyl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(3-bromo-4-fluorophenyl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(3-bromo-4-fluorophenyl)-2-methylpropanoate is COC(=O)C(C)(C)c1ccc(F)c(Br)c1.
What is the InChIKey of methyl 2-(3-bromo-4-fluorophenyl)-2-methylpropanoate?
The InChIKey is MJSMHAGSXUGTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO2/c1-11(2,10(14)15-3)7-4-5-9(13)8(12)6-7/h4-6H,1-3H3.
What are the key properties of methyl 2-(3-bromo-4-fluorophenyl)-2-methylpropanoate?
methyl 2-(3-bromo-4-fluorophenyl)-2-methylpropanoate has a molecular weight of 275.12 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromo-4-fluorophenyl)-2-methylpropanoate is sourced from PubChem (CID 105426665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).