methyl 2-fluoropropanoate

C4H7FO2 — CID 11083845

IUPACmethyl 2-fluoropropanoate
SMILESCOC(=O)C(C)F
InChIInChI=1S/C4H7FO2/c1-3(5)4(6)7-2/h3H,1-2H3
InChIKeyMHAIQPNJLRLFLO-UHFFFAOYSA-N
MW106.10 g/mol
LogP0.52
Rot. Bonds1

About methyl 2-fluoropropanoate

methyl 2-fluoropropanoate (PubChem CID 11083845) has the molecular formula C4H7FO2 and a molecular weight of 106.10 g/mol. Its IUPAC name is methyl 2-fluoropropanoate.

Molecular Properties

Compound Namemethyl 2-fluoropropanoate
PubChem CID11083845
Molecular FormulaC4H7FO2
Molecular Weight106.10 g/mol
Exact Mass106.04
IUPAC Namemethyl 2-fluoropropanoate
SMILESCOC(=O)C(C)F
InChIInChI=1S/C4H7FO2/c1-3(5)4(6)7-2/h3H,1-2H3
InChIKeyMHAIQPNJLRLFLO-UHFFFAOYSA-N
XLogP0.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.10
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoropropanoate?
The IUPAC name of methyl 2-fluoropropanoate (CID 11083845) is methyl 2-fluoropropanoate.
What is the SMILES notation for methyl 2-fluoropropanoate?
The canonical SMILES for methyl 2-fluoropropanoate is COC(=O)C(C)F.
What is the InChIKey of methyl 2-fluoropropanoate?
The InChIKey is MHAIQPNJLRLFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO2/c1-3(5)4(6)7-2/h3H,1-2H3.
What are the key properties of methyl 2-fluoropropanoate?
methyl 2-fluoropropanoate has a molecular weight of 106.10 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoropropanoate is sourced from PubChem (CID 11083845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).