methyl 2-fluoro-3-methyliminobutanoate

C6H10FNO2 — CID 137426867

IUPACmethyl 2-fluoro-3-methyliminobutanoate
SMILESC/N=C(\C)C(F)C(=O)OC
InChIInChI=1S/C6H10FNO2/c1-4(8-2)5(7)6(9)10-3/h5H,1-3H3/b8-4+
InChIKeyPYAQFDLEHCUULQ-XBXARRHUSA-N
MW147.15 g/mol
LogP0.59
Rot. Bonds2

About methyl 2-fluoro-3-methyliminobutanoate

methyl 2-fluoro-3-methyliminobutanoate (PubChem CID 137426867) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is methyl 2-fluoro-3-methyliminobutanoate.

Molecular Properties

Compound Namemethyl 2-fluoro-3-methyliminobutanoate
PubChem CID137426867
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Namemethyl 2-fluoro-3-methyliminobutanoate
SMILESC/N=C(\C)C(F)C(=O)OC
InChIInChI=1S/C6H10FNO2/c1-4(8-2)5(7)6(9)10-3/h5H,1-3H3/b8-4+
InChIKeyPYAQFDLEHCUULQ-XBXARRHUSA-N
XLogP0.59
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4,4,4-trifluoro-3-methyliminobutanoate
CID 7009199
Methyl 4-fluoro-3-iminobutanoate
CID 54290753
Ethyl 3-ethylimino-4,4,4-trifluorobutanoate
CID 83401125
Ethyl 4,4,4-trifluoro-3-propyliminobutanoate
CID 118376946
Methyl 3-methyliminobutanoate
CID 6933507
Ethyl 3-(methylimino)butanoate
CID 12399140
Ethyl 2-methyliminobutanoate
CID 18322595
Methyl 3-butyliminobutanoate
CID 19796790
Methyl 2-methyliminobutanoate
CID 20717772
Methyl 3-(cyanomethylimino)butanoate
CID 53660361
Methyl 3-propyliminobutanoate
CID 53736733
Propyl 3-methyliminobutanoate
CID 53738329

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-3-methyliminobutanoate?
The IUPAC name of methyl 2-fluoro-3-methyliminobutanoate (CID 137426867) is methyl 2-fluoro-3-methyliminobutanoate.
What is the SMILES notation for methyl 2-fluoro-3-methyliminobutanoate?
The canonical SMILES for methyl 2-fluoro-3-methyliminobutanoate is C/N=C(\C)C(F)C(=O)OC.
What is the InChIKey of methyl 2-fluoro-3-methyliminobutanoate?
The InChIKey is PYAQFDLEHCUULQ-XBXARRHUSA-N. The full InChI is InChI=1S/C6H10FNO2/c1-4(8-2)5(7)6(9)10-3/h5H,1-3H3/b8-4+.
What are the key properties of methyl 2-fluoro-3-methyliminobutanoate?
methyl 2-fluoro-3-methyliminobutanoate has a molecular weight of 147.15 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-3-methyliminobutanoate is sourced from PubChem (CID 137426867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).