methyl 4-fluoro-2-(methylamino)but-3-enoate

C6H10FNO2 — CID 54375774

IUPACmethyl 4-fluoro-2-(methylamino)but-3-enoate
SMILESCNC(C=CF)C(=O)OC
InChIInChI=1S/C6H10FNO2/c1-8-5(3-4-7)6(9)10-2/h3-5,8H,1-2H3
InChIKeyUWJXVTJFAURGJM-UHFFFAOYSA-N
MW147.15 g/mol
LogP0.23
Rot. Bonds3

About methyl 4-fluoro-2-(methylamino)but-3-enoate

methyl 4-fluoro-2-(methylamino)but-3-enoate (PubChem CID 54375774) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is methyl 4-fluoro-2-(methylamino)but-3-enoate.

Molecular Properties

Compound Namemethyl 4-fluoro-2-(methylamino)but-3-enoate
PubChem CID54375774
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Namemethyl 4-fluoro-2-(methylamino)but-3-enoate
SMILESCNC(C=CF)C(=O)OC
InChIInChI=1S/C6H10FNO2/c1-8-5(3-4-7)6(9)10-2/h3-5,8H,1-2H3
InChIKeyUWJXVTJFAURGJM-UHFFFAOYSA-N
XLogP0.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2-(methylamino)but-3-enoate?
The IUPAC name of methyl 4-fluoro-2-(methylamino)but-3-enoate (CID 54375774) is methyl 4-fluoro-2-(methylamino)but-3-enoate.
What is the SMILES notation for methyl 4-fluoro-2-(methylamino)but-3-enoate?
The canonical SMILES for methyl 4-fluoro-2-(methylamino)but-3-enoate is CNC(C=CF)C(=O)OC.
What is the InChIKey of methyl 4-fluoro-2-(methylamino)but-3-enoate?
The InChIKey is UWJXVTJFAURGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2/c1-8-5(3-4-7)6(9)10-2/h3-5,8H,1-2H3.
What are the key properties of methyl 4-fluoro-2-(methylamino)but-3-enoate?
methyl 4-fluoro-2-(methylamino)but-3-enoate has a molecular weight of 147.15 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-2-(methylamino)but-3-enoate is sourced from PubChem (CID 54375774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).