ethyl 2-fluoro-2-methylpropanoate

C6H11FO2 — CID 10898763

IUPACethyl 2-fluoro-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)F
InChIInChI=1S/C6H11FO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3
InChIKeyCJRQQJKWNULSFQ-UHFFFAOYSA-N
MW134.15 g/mol
LogP1.30
Rot. Bonds2

About ethyl 2-fluoro-2-methylpropanoate

ethyl 2-fluoro-2-methylpropanoate (PubChem CID 10898763) has the molecular formula C6H11FO2 and a molecular weight of 134.15 g/mol. Its IUPAC name is ethyl 2-fluoro-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-methylpropanoate
PubChem CID10898763
Molecular FormulaC6H11FO2
Molecular Weight134.15 g/mol
Exact Mass134.07
IUPAC Nameethyl 2-fluoro-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)F
InChIInChI=1S/C6H11FO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3
InChIKeyCJRQQJKWNULSFQ-UHFFFAOYSA-N
XLogP1.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2-fluoro-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-methylpropanoate?
The IUPAC name of ethyl 2-fluoro-2-methylpropanoate (CID 10898763) is ethyl 2-fluoro-2-methylpropanoate.
What is the SMILES notation for ethyl 2-fluoro-2-methylpropanoate?
The canonical SMILES for ethyl 2-fluoro-2-methylpropanoate is CCOC(=O)C(C)(C)F.
What is the InChIKey of ethyl 2-fluoro-2-methylpropanoate?
The InChIKey is CJRQQJKWNULSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3.
What are the key properties of ethyl 2-fluoro-2-methylpropanoate?
ethyl 2-fluoro-2-methylpropanoate has a molecular weight of 134.15 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-methylpropanoate is sourced from PubChem (CID 10898763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).