Fluorovinylglycine

C4H6FNO2 — CID 3081008

IUPAC2-amino-3-fluorobut-3-enoic acid
SMILESC=C(C(C(=O)O)N)F
InChIInChI=1S/C4H6FNO2/c1-2(5)3(6)4(7)8/h3H,1,6H2,(H,7,8)
InChIKeyHMOXWHQSNHKKFM-UHFFFAOYSA-N
MW119.09 g/mol
LogP-2.70
Rot. Bonds2

About Fluorovinylglycine

Fluorovinylglycine (PubChem CID 3081008) has the molecular formula C4H6FNO2 and a molecular weight of 119.09 g/mol. Its IUPAC name is 2-amino-3-fluorobut-3-enoic acid.

Molecular Properties

Compound NameFluorovinylglycine
PubChem CID3081008
Molecular FormulaC4H6FNO2
Molecular Weight119.09 g/mol
Exact Mass119.04
IUPAC Name2-amino-3-fluorobut-3-enoic acid
SMILESC=C(C(C(=O)O)N)F
InChIInChI=1S/C4H6FNO2/c1-2(5)3(6)4(7)8/h3H,1,6H2,(H,7,8)
InChIKeyHMOXWHQSNHKKFM-UHFFFAOYSA-N
XLogP-2.70
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity123

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.09
LogP ≤ 5-2.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Fluorovinylglycine?
The IUPAC name of Fluorovinylglycine (CID 3081008) is 2-amino-3-fluorobut-3-enoic acid.
What is the SMILES notation for Fluorovinylglycine?
The canonical SMILES for Fluorovinylglycine is C=C(C(C(=O)O)N)F.
What is the InChIKey of Fluorovinylglycine?
The InChIKey is HMOXWHQSNHKKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO2/c1-2(5)3(6)4(7)8/h3H,1,6H2,(H,7,8).
What are the key properties of Fluorovinylglycine?
Fluorovinylglycine has a molecular weight of 119.09 g/mol, XLogP of -2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Fluorovinylglycine is sourced from PubChem (CID 3081008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).