(Z)-3-(5-chlorothiophen-2-yl)-2-fluoroprop-2-enamide

C7H5ClFNOS — CID 141094454

IUPAC(Z)-3-(5-chlorothiophen-2-yl)-2-fluoroprop-2-enamide
SMILESNC(=O)/C(F)=C/c1ccc(Cl)s1
InChIInChI=1S/C7H5ClFNOS/c8-6-2-1-4(12-6)3-5(9)7(10)11/h1-3H,(H2,10,11)/b5-3-
InChIKeyIOCDAFDDXQPYFM-HYXAFXHYSA-N
MW205.64 g/mol
LogP2.20
Rot. Bonds2

About (Z)-3-(5-chlorothiophen-2-yl)-2-fluoroprop-2-enamide

(Z)-3-(5-chlorothiophen-2-yl)-2-fluoroprop-2-enamide (PubChem CID 141094454) has the molecular formula C7H5ClFNOS and a molecular weight of 205.64 g/mol. Its IUPAC name is (Z)-3-(5-chlorothiophen-2-yl)-2-fluoroprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(5-chlorothiophen-2-yl)-2-fluoroprop-2-enamide
PubChem CID141094454
Molecular FormulaC7H5ClFNOS
Molecular Weight205.64 g/mol
Exact Mass204.98
IUPAC Name(Z)-3-(5-chlorothiophen-2-yl)-2-fluoroprop-2-enamide
SMILESNC(=O)/C(F)=C/c1ccc(Cl)s1
InChIInChI=1S/C7H5ClFNOS/c8-6-2-1-4(12-6)3-5(9)7(10)11/h1-3H,(H2,10,11)/b5-3-
InChIKeyIOCDAFDDXQPYFM-HYXAFXHYSA-N
XLogP2.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Chlorothiophene-2-carboxamide
CID 5172545
3-(5-Chloro-2-thienyl)-2-cyanoacrylamide
CID 1225213
(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1257539
(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanyl-1,3-thiazol-4(5H)-one
CID 5896341
(E)-3-(5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide
CID 81340389
5-[(5-Chloro-2-thienyl)methylene]-1,3-thiazolidine-2,4-dione
CID 1257537
3-(5-chlorothiophen-2-yl)-N,N-dimethylprop-2-enamide
CID 68673304
(Z)-3-(5-chlorothiophen-2-yl)-2-cyanoprop-2-enamide
CID 1225214
5-[(5-Chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3690830
(5E)-5-[(5-chloro-2-thienyl)methylene]-2-mercapto-1,3-thiazol-4(5H)-one
CID 3692284
3-(5-Chloro-2-thienyl)-2-cyano-2-propenamide
CID 4190558
(E)-5-((5-Chlorothiophen-2-yl)methylene)-2-mercaptothiazol-4(5H)-one
CID 17376350

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(5-chlorothiophen-2-yl)-2-fluoroprop-2-enamide?
The IUPAC name of (Z)-3-(5-chlorothiophen-2-yl)-2-fluoroprop-2-enamide (CID 141094454) is (Z)-3-(5-chlorothiophen-2-yl)-2-fluoroprop-2-enamide.
What is the SMILES notation for (Z)-3-(5-chlorothiophen-2-yl)-2-fluoroprop-2-enamide?
The canonical SMILES for (Z)-3-(5-chlorothiophen-2-yl)-2-fluoroprop-2-enamide is NC(=O)/C(F)=C/c1ccc(Cl)s1.
What is the InChIKey of (Z)-3-(5-chlorothiophen-2-yl)-2-fluoroprop-2-enamide?
The InChIKey is IOCDAFDDXQPYFM-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H5ClFNOS/c8-6-2-1-4(12-6)3-5(9)7(10)11/h1-3H,(H2,10,11)/b5-3-.
What are the key properties of (Z)-3-(5-chlorothiophen-2-yl)-2-fluoroprop-2-enamide?
(Z)-3-(5-chlorothiophen-2-yl)-2-fluoroprop-2-enamide has a molecular weight of 205.64 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-chlorothiophen-2-yl)-2-fluoroprop-2-enamide is sourced from PubChem (CID 141094454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).