2-fluoro-3-sulfanylprop-2-enamide

C3H4FNOS — CID 173388818

IUPAC2-fluoro-3-sulfanylprop-2-enamide
SMILESNC(=O)C(F)=CS
InChIInChI=1S/C3H4FNOS/c4-2(1-7)3(5)6/h1,7H,(H2,5,6)
InChIKeyMFBWDNOMXKSRRL-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.21
Rot. Bonds1

About 2-fluoro-3-sulfanylprop-2-enamide

2-fluoro-3-sulfanylprop-2-enamide (PubChem CID 173388818) has the molecular formula C3H4FNOS and a molecular weight of 121.14 g/mol. Its IUPAC name is 2-fluoro-3-sulfanylprop-2-enamide.

Molecular Properties

Compound Name2-fluoro-3-sulfanylprop-2-enamide
PubChem CID173388818
Molecular FormulaC3H4FNOS
Molecular Weight121.14 g/mol
Exact Mass121.00
IUPAC Name2-fluoro-3-sulfanylprop-2-enamide
SMILESNC(=O)C(F)=CS
InChIInChI=1S/C3H4FNOS/c4-2(1-7)3(5)6/h1,7H,(H2,5,6)
InChIKeyMFBWDNOMXKSRRL-UHFFFAOYSA-N
XLogP0.21
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-sulfanylprop-2-enamide?
The IUPAC name of 2-fluoro-3-sulfanylprop-2-enamide (CID 173388818) is 2-fluoro-3-sulfanylprop-2-enamide.
What is the SMILES notation for 2-fluoro-3-sulfanylprop-2-enamide?
The canonical SMILES for 2-fluoro-3-sulfanylprop-2-enamide is NC(=O)C(F)=CS.
What is the InChIKey of 2-fluoro-3-sulfanylprop-2-enamide?
The InChIKey is MFBWDNOMXKSRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4FNOS/c4-2(1-7)3(5)6/h1,7H,(H2,5,6).
What are the key properties of 2-fluoro-3-sulfanylprop-2-enamide?
2-fluoro-3-sulfanylprop-2-enamide has a molecular weight of 121.14 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-sulfanylprop-2-enamide is sourced from PubChem (CID 173388818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).