methyl (2R,3R)-2,3-dichloro-3-fluoro-2-methylpropanoate

C5H7Cl2FO2 — CID 12587002

IUPACmethyl (2R,3R)-2,3-dichloro-3-fluoro-2-methylpropanoate
SMILESCOC(=O)[C@@](C)(Cl)[C@H](F)Cl
InChIInChI=1S/C5H7Cl2FO2/c1-5(7,3(6)8)4(9)10-2/h3H,1-2H3/t3-,5-/m0/s1
InChIKeyAYOWSRTWKGJQCO-UCORVYFPSA-N
MW189.01 g/mol
LogP1.69
Rot. Bonds2

About methyl (2R,3R)-2,3-dichloro-3-fluoro-2-methylpropanoate

methyl (2R,3R)-2,3-dichloro-3-fluoro-2-methylpropanoate (PubChem CID 12587002) has the molecular formula C5H7Cl2FO2 and a molecular weight of 189.01 g/mol. Its IUPAC name is methyl (2R,3R)-2,3-dichloro-3-fluoro-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-2,3-dichloro-3-fluoro-2-methylpropanoate
PubChem CID12587002
Molecular FormulaC5H7Cl2FO2
Molecular Weight189.01 g/mol
Exact Mass187.98
IUPAC Namemethyl (2R,3R)-2,3-dichloro-3-fluoro-2-methylpropanoate
SMILESCOC(=O)[C@@](C)(Cl)[C@H](F)Cl
InChIInChI=1S/C5H7Cl2FO2/c1-5(7,3(6)8)4(9)10-2/h3H,1-2H3/t3-,5-/m0/s1
InChIKeyAYOWSRTWKGJQCO-UCORVYFPSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.01
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 2,4,4-trichloro-2-methylbutanoate
CID 10584979
methyl 2-bromo-2-chloropropanoate
CID 11052670
methyl (3S)-2,2,3-trifluorobutanoate
CID 139504905
methyl 2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 13024469
(2-chloro-1-methoxy-1-oxopropan-2-yl)phosphonic acid
CID 154585130
methyl (2R)-2-amino-2-bromopropanoate
CID 87903437
methyl 2-(aminomethyl)-3-fluoro-2-methylbutanoate
CID 105432092
methyl 2,2,5-trichlorohexanoate
CID 101280352
methyl 7-chloro-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate
CID 2782477
dimethyl 2-(1-aminoethyl)-2-methylpropanedioate
CID 154853473
methyl 2,2-difluoro-3,3-dihydroxybutanoate
CID 91543242
dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate
CID 105489493

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2,3-dichloro-3-fluoro-2-methylpropanoate?
The IUPAC name of methyl (2R,3R)-2,3-dichloro-3-fluoro-2-methylpropanoate (CID 12587002) is methyl (2R,3R)-2,3-dichloro-3-fluoro-2-methylpropanoate.
What is the SMILES notation for methyl (2R,3R)-2,3-dichloro-3-fluoro-2-methylpropanoate?
The canonical SMILES for methyl (2R,3R)-2,3-dichloro-3-fluoro-2-methylpropanoate is COC(=O)[C@@](C)(Cl)[C@H](F)Cl.
What is the InChIKey of methyl (2R,3R)-2,3-dichloro-3-fluoro-2-methylpropanoate?
The InChIKey is AYOWSRTWKGJQCO-UCORVYFPSA-N. The full InChI is InChI=1S/C5H7Cl2FO2/c1-5(7,3(6)8)4(9)10-2/h3H,1-2H3/t3-,5-/m0/s1.
What are the key properties of methyl (2R,3R)-2,3-dichloro-3-fluoro-2-methylpropanoate?
methyl (2R,3R)-2,3-dichloro-3-fluoro-2-methylpropanoate has a molecular weight of 189.01 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2,3-dichloro-3-fluoro-2-methylpropanoate is sourced from PubChem (CID 12587002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).