ethyl 2,3-difluoro-2-methylpropanoate

C6H10F2O2 — CID 141351249

IUPACethyl 2,3-difluoro-2-methylpropanoate
SMILESCCOC(=O)C(C)(F)CF
InChIInChI=1S/C6H10F2O2/c1-3-10-5(9)6(2,8)4-7/h3-4H2,1-2H3
InChIKeyMRMWOAGKIFFRMT-UHFFFAOYSA-N
MW152.14 g/mol
LogP1.25
Rot. Bonds3

About ethyl 2,3-difluoro-2-methylpropanoate

ethyl 2,3-difluoro-2-methylpropanoate (PubChem CID 141351249) has the molecular formula C6H10F2O2 and a molecular weight of 152.14 g/mol. Its IUPAC name is ethyl 2,3-difluoro-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2,3-difluoro-2-methylpropanoate
PubChem CID141351249
Molecular FormulaC6H10F2O2
Molecular Weight152.14 g/mol
Exact Mass152.06
IUPAC Nameethyl 2,3-difluoro-2-methylpropanoate
SMILESCCOC(=O)C(C)(F)CF
InChIInChI=1S/C6H10F2O2/c1-3-10-5(9)6(2,8)4-7/h3-4H2,1-2H3
InChIKeyMRMWOAGKIFFRMT-UHFFFAOYSA-N
XLogP1.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-fluoro-2-methylpentanoate
CID 157367290
ethyl (2R)-3-amino-2-fluoro-2-methylpropanoate
CID 14273517
triethyl 2-fluoroethane-1,1,1-tricarboxylate
CID 24796347
ethyl (2R)-2-amino-2-fluoropropanoate
CID 57210654
diethyl 2,2,4,4-tetrafluoro-3-oxopentanedioate
CID 86616588
ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate
CID 13141611
ethyl 2-dimethylsilyl-2-fluoropropanoate
CID 154177182
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 3,3,3-trifluoro-2,2-dihydroxypropanoate
CID 154013298
3-O-tert-butyl 1-O-ethyl (2R)-2-fluoro-2-methylpropanedioate
CID 126688340
1-ethoxy-2-fluoro-1-oxopropane-2-sulfonic acid
CID 90268260
ethyl 2-fluoro-2-methyl-4-oxo-4-phenylbutanoate
CID 175710484

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-difluoro-2-methylpropanoate?
The IUPAC name of ethyl 2,3-difluoro-2-methylpropanoate (CID 141351249) is ethyl 2,3-difluoro-2-methylpropanoate.
What is the SMILES notation for ethyl 2,3-difluoro-2-methylpropanoate?
The canonical SMILES for ethyl 2,3-difluoro-2-methylpropanoate is CCOC(=O)C(C)(F)CF.
What is the InChIKey of ethyl 2,3-difluoro-2-methylpropanoate?
The InChIKey is MRMWOAGKIFFRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O2/c1-3-10-5(9)6(2,8)4-7/h3-4H2,1-2H3.
What are the key properties of ethyl 2,3-difluoro-2-methylpropanoate?
ethyl 2,3-difluoro-2-methylpropanoate has a molecular weight of 152.14 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-difluoro-2-methylpropanoate is sourced from PubChem (CID 141351249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).