3-fluorobut-3-enamide

C4H6FNO — CID 148731670

IUPAC3-fluorobut-3-enamide
SMILESC=C(F)CC(N)=O
InChIInChI=1S/C4H6FNO/c1-3(5)2-4(6)7/h1-2H2,(H2,6,7)
InChIKeyOBBVYJWUDRSOGJ-UHFFFAOYSA-N
MW103.10 g/mol
LogP0.34
Rot. Bonds2

About 3-fluorobut-3-enamide

3-fluorobut-3-enamide (PubChem CID 148731670) has the molecular formula C4H6FNO and a molecular weight of 103.10 g/mol. Its IUPAC name is 3-fluorobut-3-enamide.

Molecular Properties

Compound Name3-fluorobut-3-enamide
PubChem CID148731670
Molecular FormulaC4H6FNO
Molecular Weight103.10 g/mol
Exact Mass103.04
IUPAC Name3-fluorobut-3-enamide
SMILESC=C(F)CC(N)=O
InChIInChI=1S/C4H6FNO/c1-3(5)2-4(6)7/h1-2H2,(H2,6,7)
InChIKeyOBBVYJWUDRSOGJ-UHFFFAOYSA-N
XLogP0.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.10
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluorobut-3-enamide?
The IUPAC name of 3-fluorobut-3-enamide (CID 148731670) is 3-fluorobut-3-enamide.
What is the SMILES notation for 3-fluorobut-3-enamide?
The canonical SMILES for 3-fluorobut-3-enamide is C=C(F)CC(N)=O.
What is the InChIKey of 3-fluorobut-3-enamide?
The InChIKey is OBBVYJWUDRSOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO/c1-3(5)2-4(6)7/h1-2H2,(H2,6,7).
What are the key properties of 3-fluorobut-3-enamide?
3-fluorobut-3-enamide has a molecular weight of 103.10 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobut-3-enamide is sourced from PubChem (CID 148731670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).