methyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate

C8H15FO5 — CID 159507124

IUPACmethyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate
SMILESCOC(=O)[C@@H](C)F.COC(=O)[C@H](C)O
InChIInChI=1S/C4H7FO2.C4H8O3/c2*1-3(5)4(6)7-2/h3H,1-2H3;3,5H,1-2H3/t2*3-/m10/s1
InChIKeyMADDLPDVCUTSRT-OASOTCBPSA-N
MW210.20 g/mol
LogP0.06
Rot. Bonds2

About methyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate

methyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate (PubChem CID 159507124) has the molecular formula C8H15FO5 and a molecular weight of 210.20 g/mol. Its IUPAC name is methyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate
PubChem CID159507124
Molecular FormulaC8H15FO5
Molecular Weight210.20 g/mol
Exact Mass210.09
IUPAC Namemethyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate
SMILESCOC(=O)[C@@H](C)F.COC(=O)[C@H](C)O
InChIInChI=1S/C4H7FO2.C4H8O3/c2*1-3(5)4(6)7-2/h3H,1-2H3;3,5H,1-2H3/t2*3-/m10/s1
InChIKeyMADDLPDVCUTSRT-OASOTCBPSA-N
XLogP0.06
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methanol;methyl 2-hydroxypropanoate
CID 157321309
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627
2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate
CID 159015634
2-fluoropropanoyl 2-fluoropropanoate
CID 57174610
methyl (2S)-3,3-difluoro-2-hydroxypropanoate
CID 178200832
1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate
CID 87696230
methyl (2S,3R)-2-amino-3-fluorobutanoate
CID 131009170
methyl 2-fluoro-2-fluorosulfonylacetate
CID 12779300
methyl (2S,3R)-2-chloro-3-fluorobutanoate
CID 124708312
methyl 2-aminopropanoate
CID 159707893

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate?
The IUPAC name of methyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate (CID 159507124) is methyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate.
What is the SMILES notation for methyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate?
The canonical SMILES for methyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate is COC(=O)[C@@H](C)F.COC(=O)[C@H](C)O.
What is the InChIKey of methyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate?
The InChIKey is MADDLPDVCUTSRT-OASOTCBPSA-N. The full InChI is InChI=1S/C4H7FO2.C4H8O3/c2*1-3(5)4(6)7-2/h3H,1-2H3;3,5H,1-2H3/t2*3-/m10/s1.
What are the key properties of methyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate?
methyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate has a molecular weight of 210.20 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate is sourced from PubChem (CID 159507124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).