methyl (2R)-2-(4-bromo-2,6-difluorophenoxy)propanoate

C10H9BrF2O3 — CID 131748200

IUPACmethyl (2R)-2-(4-bromo-2,6-difluorophenoxy)propanoate
SMILESCOC(=O)[C@@H](C)Oc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H9BrF2O3/c1-5(10(14)15-2)16-9-7(12)3-6(11)4-8(9)13/h3-5H,1-2H3/t5-/m1/s1
InChIKeyZWTRVNAGPBMQAC-RXMQYKEDSA-N
MW295.08 g/mol
LogP2.67
Rot. Bonds3

About methyl (2R)-2-(4-bromo-2,6-difluorophenoxy)propanoate

methyl (2R)-2-(4-bromo-2,6-difluorophenoxy)propanoate (PubChem CID 131748200) has the molecular formula C10H9BrF2O3 and a molecular weight of 295.08 g/mol. Its IUPAC name is methyl (2R)-2-(4-bromo-2,6-difluorophenoxy)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-bromo-2,6-difluorophenoxy)propanoate
PubChem CID131748200
Molecular FormulaC10H9BrF2O3
Molecular Weight295.08 g/mol
Exact Mass293.97
IUPAC Namemethyl (2R)-2-(4-bromo-2,6-difluorophenoxy)propanoate
SMILESCOC(=O)[C@@H](C)Oc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H9BrF2O3/c1-5(10(14)15-2)16-9-7(12)3-6(11)4-8(9)13/h3-5H,1-2H3/t5-/m1/s1
InChIKeyZWTRVNAGPBMQAC-RXMQYKEDSA-N
XLogP2.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-bromo-2,6-difluorophenoxy)propanoate
CID 175054822
methyl (2R)-2-(4-bromo-2-fluoro-6-nitrophenoxy)propanoate
CID 140746332
methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate
CID 79888346
methyl 2-(2-amino-4-bromo-6-methylphenoxy)propanoate
CID 79842569
methyl (Z)-4-(4-bromo-2,6-difluorophenoxy)pent-2-enoate
CID 175054974
5-bromo-2-(1-methoxy-1-oxopropan-2-yl)oxy-3-methylbenzoic acid
CID 112620920
methyl 2-(4-bromo-2,6-difluoroanilino)propanoate
CID 65469192
methyl (2R)-2-(3-bromo-5-hydroxyphenoxy)propanoate
CID 154610153
methyl (2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)acetate;hydrochloride
CID 171226301
methyl 2-(2-amino-6-fluorophenoxy)propanoate
CID 104831172
1-(5-bromo-3-fluoro-2-propan-2-yloxyphenyl)ethanone
CID 83904296
methyl (2S)-2-(2-bromo-5-fluorophenoxy)propanoate
CID 103338122

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-bromo-2,6-difluorophenoxy)propanoate?
The IUPAC name of methyl (2R)-2-(4-bromo-2,6-difluorophenoxy)propanoate (CID 131748200) is methyl (2R)-2-(4-bromo-2,6-difluorophenoxy)propanoate.
What is the SMILES notation for methyl (2R)-2-(4-bromo-2,6-difluorophenoxy)propanoate?
The canonical SMILES for methyl (2R)-2-(4-bromo-2,6-difluorophenoxy)propanoate is COC(=O)[C@@H](C)Oc1c(F)cc(Br)cc1F.
What is the InChIKey of methyl (2R)-2-(4-bromo-2,6-difluorophenoxy)propanoate?
The InChIKey is ZWTRVNAGPBMQAC-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H9BrF2O3/c1-5(10(14)15-2)16-9-7(12)3-6(11)4-8(9)13/h3-5H,1-2H3/t5-/m1/s1.
What are the key properties of methyl (2R)-2-(4-bromo-2,6-difluorophenoxy)propanoate?
methyl (2R)-2-(4-bromo-2,6-difluorophenoxy)propanoate has a molecular weight of 295.08 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-bromo-2,6-difluorophenoxy)propanoate is sourced from PubChem (CID 131748200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).