(Z)-3-fluoro-2-methyl-N-(1-methylsulfanylethyl)but-2-enamide

C8H14FNOS — CID 152804207

IUPAC(Z)-3-fluoro-2-methyl-N-(1-methylsulfanylethyl)but-2-enamide
SMILESCSC(C)NC(=O)/C(C)=C(/C)F
InChIInChI=1S/C8H14FNOS/c1-5(6(2)9)8(11)10-7(3)12-4/h7H,1-4H3,(H,10,11)/b6-5-
InChIKeySOZDQVRJCMBFFN-WAYWQWQTSA-N
MW191.27 g/mol
LogP2.08
Rot. Bonds3

About (Z)-3-fluoro-2-methyl-N-(1-methylsulfanylethyl)but-2-enamide

(Z)-3-fluoro-2-methyl-N-(1-methylsulfanylethyl)but-2-enamide (PubChem CID 152804207) has the molecular formula C8H14FNOS and a molecular weight of 191.27 g/mol. Its IUPAC name is (Z)-3-fluoro-2-methyl-N-(1-methylsulfanylethyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-3-fluoro-2-methyl-N-(1-methylsulfanylethyl)but-2-enamide
PubChem CID152804207
Molecular FormulaC8H14FNOS
Molecular Weight191.27 g/mol
Exact Mass191.08
IUPAC Name(Z)-3-fluoro-2-methyl-N-(1-methylsulfanylethyl)but-2-enamide
SMILESCSC(C)NC(=O)/C(C)=C(/C)F
InChIInChI=1S/C8H14FNOS/c1-5(6(2)9)8(11)10-7(3)12-4/h7H,1-4H3,(H,10,11)/b6-5-
InChIKeySOZDQVRJCMBFFN-WAYWQWQTSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-2-methyl-N-(1-methylsulfanylethyl)but-2-enamide?
The IUPAC name of (Z)-3-fluoro-2-methyl-N-(1-methylsulfanylethyl)but-2-enamide (CID 152804207) is (Z)-3-fluoro-2-methyl-N-(1-methylsulfanylethyl)but-2-enamide.
What is the SMILES notation for (Z)-3-fluoro-2-methyl-N-(1-methylsulfanylethyl)but-2-enamide?
The canonical SMILES for (Z)-3-fluoro-2-methyl-N-(1-methylsulfanylethyl)but-2-enamide is CSC(C)NC(=O)/C(C)=C(/C)F.
What is the InChIKey of (Z)-3-fluoro-2-methyl-N-(1-methylsulfanylethyl)but-2-enamide?
The InChIKey is SOZDQVRJCMBFFN-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H14FNOS/c1-5(6(2)9)8(11)10-7(3)12-4/h7H,1-4H3,(H,10,11)/b6-5-.
What are the key properties of (Z)-3-fluoro-2-methyl-N-(1-methylsulfanylethyl)but-2-enamide?
(Z)-3-fluoro-2-methyl-N-(1-methylsulfanylethyl)but-2-enamide has a molecular weight of 191.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-2-methyl-N-(1-methylsulfanylethyl)but-2-enamide is sourced from PubChem (CID 152804207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).