2-fluorobut-2-enamide

C4H6FNO — CID 140988978

IUPAC2-fluorobut-2-enamide
SMILESCC=C(F)C(N)=O
InChIInChI=1S/C4H6FNO/c1-2-3(5)4(6)7/h2H,1H3,(H2,6,7)
InChIKeyPTULYVHJWWNVPG-UHFFFAOYSA-N
MW103.10 g/mol
LogP0.34
Rot. Bonds1

About 2-fluorobut-2-enamide

2-fluorobut-2-enamide (PubChem CID 140988978) has the molecular formula C4H6FNO and a molecular weight of 103.10 g/mol. Its IUPAC name is 2-fluorobut-2-enamide.

Molecular Properties

Compound Name2-fluorobut-2-enamide
PubChem CID140988978
Molecular FormulaC4H6FNO
Molecular Weight103.10 g/mol
Exact Mass103.04
IUPAC Name2-fluorobut-2-enamide
SMILESCC=C(F)C(N)=O
InChIInChI=1S/C4H6FNO/c1-2-3(5)4(6)7/h2H,1H3,(H2,6,7)
InChIKeyPTULYVHJWWNVPG-UHFFFAOYSA-N
XLogP0.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluorobut-2-enamide?
The IUPAC name of 2-fluorobut-2-enamide (CID 140988978) is 2-fluorobut-2-enamide.
What is the SMILES notation for 2-fluorobut-2-enamide?
The canonical SMILES for 2-fluorobut-2-enamide is CC=C(F)C(N)=O.
What is the InChIKey of 2-fluorobut-2-enamide?
The InChIKey is PTULYVHJWWNVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO/c1-2-3(5)4(6)7/h2H,1H3,(H2,6,7).
What are the key properties of 2-fluorobut-2-enamide?
2-fluorobut-2-enamide has a molecular weight of 103.10 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobut-2-enamide is sourced from PubChem (CID 140988978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).