methyl 2-carbonofluoridoyloxypropanoate

C5H7FO4 — CID 87672150

IUPACmethyl 2-carbonofluoridoyloxypropanoate
SMILESCOC(=O)C(C)OC(=O)F
InChIInChI=1S/C5H7FO4/c1-3(4(7)9-2)10-5(6)8/h3H,1-2H3
InChIKeyRBGQHMAEROALNT-UHFFFAOYSA-N
MW150.10 g/mol
LogP0.65
Rot. Bonds2

About methyl 2-carbonofluoridoyloxypropanoate

methyl 2-carbonofluoridoyloxypropanoate (PubChem CID 87672150) has the molecular formula C5H7FO4 and a molecular weight of 150.10 g/mol. Its IUPAC name is methyl 2-carbonofluoridoyloxypropanoate.

Molecular Properties

Compound Namemethyl 2-carbonofluoridoyloxypropanoate
PubChem CID87672150
Molecular FormulaC5H7FO4
Molecular Weight150.10 g/mol
Exact Mass150.03
IUPAC Namemethyl 2-carbonofluoridoyloxypropanoate
SMILESCOC(=O)C(C)OC(=O)F
InChIInChI=1S/C5H7FO4/c1-3(4(7)9-2)10-5(6)8/h3H,1-2H3
InChIKeyRBGQHMAEROALNT-UHFFFAOYSA-N
XLogP0.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis[(2S)-1-methoxy-1-oxopropan-2-yl] but-2-ynedioate
CID 11748131
methyl 2-methoxypropanoate;hydrochloride
CID 174449160
methyl (2S)-2-(aminomethoxycarbonyloxy)propanoate
CID 155065412
bis[(2S)-1-methoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11012872
methyl (2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-dimethylgallanyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate
CID 139239326
methyl 2-(2-aminoethoxy)propanoate;hydrochloride
CID 175589324
dimethyl 2-methoxycarbonyloxypropanedioate
CID 88550478
methyl 2-(trifluoromethylsulfonyloxy)propanoate
CID 13388929
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methyl 2-methylpropanoate;titanium
CID 174633551
methyl 2-aminopropanoate
CID 159707893
methyl 2-methylsulfonyloxypropanoate
CID 11480830

Frequently Asked Questions

What is the IUPAC name of methyl 2-carbonofluoridoyloxypropanoate?
The IUPAC name of methyl 2-carbonofluoridoyloxypropanoate (CID 87672150) is methyl 2-carbonofluoridoyloxypropanoate.
What is the SMILES notation for methyl 2-carbonofluoridoyloxypropanoate?
The canonical SMILES for methyl 2-carbonofluoridoyloxypropanoate is COC(=O)C(C)OC(=O)F.
What is the InChIKey of methyl 2-carbonofluoridoyloxypropanoate?
The InChIKey is RBGQHMAEROALNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO4/c1-3(4(7)9-2)10-5(6)8/h3H,1-2H3.
What are the key properties of methyl 2-carbonofluoridoyloxypropanoate?
methyl 2-carbonofluoridoyloxypropanoate has a molecular weight of 150.10 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-carbonofluoridoyloxypropanoate is sourced from PubChem (CID 87672150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).