methyl 3,3-difluoro-2-hydroxyprop-2-enoate

C4H4F2O3 — CID 10866398

IUPACmethyl 3,3-difluoro-2-hydroxyprop-2-enoate
SMILESCOC(=O)C(O)=C(F)F
InChIInChI=1S/C4H4F2O3/c1-9-4(8)2(7)3(5)6/h7H,1H3
InChIKeyYRSPJSLKOGXICG-UHFFFAOYSA-N
MW138.07 g/mol
LogP0.83
Rot. Bonds1

About methyl 3,3-difluoro-2-hydroxyprop-2-enoate

methyl 3,3-difluoro-2-hydroxyprop-2-enoate (PubChem CID 10866398) has the molecular formula C4H4F2O3 and a molecular weight of 138.07 g/mol. Its IUPAC name is methyl 3,3-difluoro-2-hydroxyprop-2-enoate.

Molecular Properties

Compound Namemethyl 3,3-difluoro-2-hydroxyprop-2-enoate
PubChem CID10866398
Molecular FormulaC4H4F2O3
Molecular Weight138.07 g/mol
Exact Mass138.01
IUPAC Namemethyl 3,3-difluoro-2-hydroxyprop-2-enoate
SMILESCOC(=O)C(O)=C(F)F
InChIInChI=1S/C4H4F2O3/c1-9-4(8)2(7)3(5)6/h7H,1H3
InChIKeyYRSPJSLKOGXICG-UHFFFAOYSA-N
XLogP0.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.07
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dimethyl (E)-2,3-dihydroxybut-2-enedioate
CID 54699194
dimethyl 2,3-dihydroxybut-2-enedioate
CID 54697656
dimethyl 2-(difluoromethylidene)propanedioate
CID 23264341
dimethyl oxalate
CID 11120
dimethyl oxalate;hydrochloride
CID 172754902
4-fluoro-5-methoxy-3-methyl-5-oxopent-3-enoic acid
CID 90022947
2-methoxy-2-oxoacetic acid;bis(yttrium)
CID 58923801
ethane;2-methoxy-2-oxoacetic acid
CID 175061457
methyl 2-hydroxy(113C)prop-2-enoate
CID 102061345
methyl 3-chloro-2-fluoroprop-2-enoate
CID 71377528
1-O-ethyl 4-O-methyl (Z)-3-hydroxy-2-methylbut-2-enedioate
CID 134922200
methyl 2,3-diiodobut-2-enoate
CID 71366810

Frequently Asked Questions

What is the IUPAC name of methyl 3,3-difluoro-2-hydroxyprop-2-enoate?
The IUPAC name of methyl 3,3-difluoro-2-hydroxyprop-2-enoate (CID 10866398) is methyl 3,3-difluoro-2-hydroxyprop-2-enoate.
What is the SMILES notation for methyl 3,3-difluoro-2-hydroxyprop-2-enoate?
The canonical SMILES for methyl 3,3-difluoro-2-hydroxyprop-2-enoate is COC(=O)C(O)=C(F)F.
What is the InChIKey of methyl 3,3-difluoro-2-hydroxyprop-2-enoate?
The InChIKey is YRSPJSLKOGXICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2O3/c1-9-4(8)2(7)3(5)6/h7H,1H3.
What are the key properties of methyl 3,3-difluoro-2-hydroxyprop-2-enoate?
methyl 3,3-difluoro-2-hydroxyprop-2-enoate has a molecular weight of 138.07 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3-difluoro-2-hydroxyprop-2-enoate is sourced from PubChem (CID 10866398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).