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

C10H10F2O3 — CID 40645997

IUPACmethyl (2R)-2-(2,4-difluorophenoxy)propanoate
SMILESCOC(=O)[C@@H](C)Oc1ccc(F)cc1F
InChIInChI=1S/C10H10F2O3/c1-6(10(13)14-2)15-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3/t6-/m1/s1
InChIKeyOAAVRCUDXMSPGR-ZCFIWIBFSA-N
MW216.18 g/mol
LogP1.91
Rot. Bonds3

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

methyl (2R)-2-(2,4-difluorophenoxy)propanoate (PubChem CID 40645997) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is methyl (2R)-2-(2,4-difluorophenoxy)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(2,4-difluorophenoxy)propanoate
PubChem CID40645997
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Namemethyl (2R)-2-(2,4-difluorophenoxy)propanoate
SMILESCOC(=O)[C@@H](C)Oc1ccc(F)cc1F
InChIInChI=1S/C10H10F2O3/c1-6(10(13)14-2)15-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3/t6-/m1/s1
InChIKeyOAAVRCUDXMSPGR-ZCFIWIBFSA-N
XLogP1.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2,4-difluorophenoxy)propanoate
CID 4507460
(2S)-2-(2,4-difluorophenoxy)propanoic acid
CID 7268787
methyl 2-[4-(1-aminoethyl)-2-fluorophenoxy]propanoate
CID 113389444
methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate
CID 103338283
methyl (2S)-2-(2-bromo-5-fluorophenoxy)propanoate
CID 103338122
2-(2,4-difluorophenoxy)-1-phenylpropan-1-one
CID 43218886
methyl 2-[4-(4-amino-2-fluorophenoxy)-2-fluorophenoxy]propanoate
CID 14855595
methyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate
CID 107701262
2-(4-amino-2-fluorophenoxy)propanamide
CID 43259260
2-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]benzamide
CID 42561609
4-(2,4-difluorophenoxy)pentanehydrazide
CID 63575446
1-[[(2R)-2-(2,4-difluorophenoxy)propanoyl]amino]-3-ethylthiourea
CID 40633643

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2,4-difluorophenoxy)propanoate?
The IUPAC name of methyl (2R)-2-(2,4-difluorophenoxy)propanoate (CID 40645997) is methyl (2R)-2-(2,4-difluorophenoxy)propanoate.
What is the SMILES notation for methyl (2R)-2-(2,4-difluorophenoxy)propanoate?
The canonical SMILES for methyl (2R)-2-(2,4-difluorophenoxy)propanoate is COC(=O)[C@@H](C)Oc1ccc(F)cc1F.
What is the InChIKey of methyl (2R)-2-(2,4-difluorophenoxy)propanoate?
The InChIKey is OAAVRCUDXMSPGR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-6(10(13)14-2)15-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3/t6-/m1/s1.
What are the key properties of methyl (2R)-2-(2,4-difluorophenoxy)propanoate?
methyl (2R)-2-(2,4-difluorophenoxy)propanoate has a molecular weight of 216.18 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2,4-difluorophenoxy)propanoate is sourced from PubChem (CID 40645997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).