methyl 2-(2-bromophenyl)-2-(3-fluorophenyl)-2-hydroxyacetate

C15H12BrFO3 — CID 171477875

IUPACmethyl 2-(2-bromophenyl)-2-(3-fluorophenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)(c1cccc(F)c1)c1ccccc1Br
InChIInChI=1S/C15H12BrFO3/c1-20-14(18)15(19,10-5-4-6-11(17)9-10)12-7-2-3-8-13(12)16/h2-9,19H,1H3
InChIKeyQADFJQXXRDZZKS-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.00
Rot. Bonds3

About methyl 2-(2-bromophenyl)-2-(3-fluorophenyl)-2-hydroxyacetate

methyl 2-(2-bromophenyl)-2-(3-fluorophenyl)-2-hydroxyacetate (PubChem CID 171477875) has the molecular formula C15H12BrFO3 and a molecular weight of 339.16 g/mol. Its IUPAC name is methyl 2-(2-bromophenyl)-2-(3-fluorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(2-bromophenyl)-2-(3-fluorophenyl)-2-hydroxyacetate
PubChem CID171477875
Molecular FormulaC15H12BrFO3
Molecular Weight339.16 g/mol
Exact Mass338.00
IUPAC Namemethyl 2-(2-bromophenyl)-2-(3-fluorophenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)(c1cccc(F)c1)c1ccccc1Br
InChIInChI=1S/C15H12BrFO3/c1-20-14(18)15(19,10-5-4-6-11(17)9-10)12-7-2-3-8-13(12)16/h2-9,19H,1H3
InChIKeyQADFJQXXRDZZKS-UHFFFAOYSA-N
XLogP3.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-bromoanilino)-2-(3-fluorophenyl)propanoate
CID 60992984
methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate
CID 146310495
methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate
CID 115043081
methyl 2-(2-bromophenyl)-2-hydroxy-2-thiophen-2-ylacetate
CID 171477878
methyl 2-(3-bromoanilino)-2-(3-fluorophenyl)propanoate
CID 60993281
1-(2-bromophenyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 79690330
methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
CID 60788040
1-bromo-1-(3-fluorophenyl)ethanol
CID 143635660
methyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate
CID 129395594
2-(3-fluorophenyl)-2-hydroxypropanamide
CID 62213418
methyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate
CID 105486320
methyl (2R)-2-(3-fluorophenyl)-2-hydroxypent-4-enoate
CID 23656504

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromophenyl)-2-(3-fluorophenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(2-bromophenyl)-2-(3-fluorophenyl)-2-hydroxyacetate (CID 171477875) is methyl 2-(2-bromophenyl)-2-(3-fluorophenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(2-bromophenyl)-2-(3-fluorophenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(2-bromophenyl)-2-(3-fluorophenyl)-2-hydroxyacetate is COC(=O)C(O)(c1cccc(F)c1)c1ccccc1Br.
What is the InChIKey of methyl 2-(2-bromophenyl)-2-(3-fluorophenyl)-2-hydroxyacetate?
The InChIKey is QADFJQXXRDZZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO3/c1-20-14(18)15(19,10-5-4-6-11(17)9-10)12-7-2-3-8-13(12)16/h2-9,19H,1H3.
What are the key properties of methyl 2-(2-bromophenyl)-2-(3-fluorophenyl)-2-hydroxyacetate?
methyl 2-(2-bromophenyl)-2-(3-fluorophenyl)-2-hydroxyacetate has a molecular weight of 339.16 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromophenyl)-2-(3-fluorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 171477875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).