(E)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide

C9H10FNO2S — CID 42646126

IUPAC(E)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide
SMILESCON(C)C(=O)/C(F)=C\c1cccs1
InChIInChI=1S/C9H10FNO2S/c1-11(13-2)9(12)8(10)6-7-4-3-5-14-7/h3-6H,1-2H3/b8-6+
InChIKeyQCDXQGMGXCRNNA-SOFGYWHQSA-N
MW215.25 g/mol
LogP2.08
Rot. Bonds3

About (E)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide

(E)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 42646126) has the molecular formula C9H10FNO2S and a molecular weight of 215.25 g/mol. Its IUPAC name is (E)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide
PubChem CID42646126
Molecular FormulaC9H10FNO2S
Molecular Weight215.25 g/mol
Exact Mass215.04
IUPAC Name(E)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide
SMILESCON(C)C(=O)/C(F)=C\c1cccs1
InChIInChI=1S/C9H10FNO2S/c1-11(13-2)9(12)8(10)6-7-4-3-5-14-7/h3-6H,1-2H3/b8-6+
InChIKeyQCDXQGMGXCRNNA-SOFGYWHQSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,N-diethyl-3-thiophen-2-ylprop-2-enamide
CID 2313985
(3S)-3-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylpropanamide
CID 154713748
N-methoxy-N-methyl-3-(thiophen-2-yl)acrylamide
CID 15141046
(E)-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide
CID 23111612
5-methyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]-1,2-oxazol-3-one
CID 76334111
(2Z,4E)-2-fluoro-N-methoxy-N-methyl-5-thiophen-2-ylpenta-2,4-dienamide
CID 102358338
(E)-N,N-dimethyl-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 60651841
(Z)-2-azido-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide
CID 138963230
(Z)-3-iodo-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide
CID 146170007
(Z)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide
CID 42646127
(E)-N-butyl-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 78866369
(E)-3-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide
CID 81343086

Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide (CID 42646126) is (E)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide is CON(C)C(=O)/C(F)=C\c1cccs1.
What is the InChIKey of (E)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is QCDXQGMGXCRNNA-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H10FNO2S/c1-11(13-2)9(12)8(10)6-7-4-3-5-14-7/h3-6H,1-2H3/b8-6+.
What are the key properties of (E)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide?
(E)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 215.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 42646126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).