(Z)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enoate

C13H8FO2S- — CID 2376836

IUPAC(Z)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enoate
SMILESO=C([O-])/C(=C\c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C13H9FO2S/c14-10-5-3-9(4-6-10)12(13(15)16)8-11-2-1-7-17-11/h1-8H,(H,15,16)/p-1/b12-8-
InChIKeyBBYPOXFMLVHSRL-WQLSENKSSA-M
MW247.27 g/mol
LogP2.18
Rot. Bonds3

About (Z)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enoate

(Z)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enoate (PubChem CID 2376836) has the molecular formula C13H8FO2S- and a molecular weight of 247.27 g/mol. Its IUPAC name is (Z)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name(Z)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enoate
PubChem CID2376836
Molecular FormulaC13H8FO2S-
Molecular Weight247.27 g/mol
Exact Mass247.02
IUPAC Name(Z)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enoate
SMILESO=C([O-])/C(=C\c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C13H9FO2S/c14-10-5-3-9(4-6-10)12(13(15)16)8-11-2-1-7-17-11/h1-8H,(H,15,16)/p-1/b12-8-
InChIKeyBBYPOXFMLVHSRL-WQLSENKSSA-M
XLogP2.18
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-hydroxy-2-phenyl-3-thiophen-2-ylprop-2-enamide
CID 11379581
2-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enoic acid
CID 68625793
2-(thiophen-2-ylmethylidene)propanedioic acid
CID 4714957
methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate
CID 2764285
2-[(E)-2-(4-fluorophenyl)ethenyl]thiophene
CID 101247141
2-(thiophen-2-ylmethylidene)propanediamide
CID 5079332
(E)-1-[2-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-en-1-one
CID 118725315
(Z)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylprop-2-enoic acid
CID 83951585
(E)-2-chloro-3-thiophen-2-ylprop-2-enoic acid
CID 88503797
(E)-2-amino-3-thiophen-2-ylprop-2-enoic acid
CID 104830865
N-[(Z)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3,4-dimethoxybenzamide
CID 100549227
2,2-difluoro-1-(4-fluorophenyl)-2-thiophen-2-ylethanone
CID 10538975

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of (Z)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enoate (CID 2376836) is (Z)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for (Z)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for (Z)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enoate is O=C([O-])/C(=C\c1cccs1)c1ccc(F)cc1.
What is the InChIKey of (Z)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is BBYPOXFMLVHSRL-WQLSENKSSA-M. The full InChI is InChI=1S/C13H9FO2S/c14-10-5-3-9(4-6-10)12(13(15)16)8-11-2-1-7-17-11/h1-8H,(H,15,16)/p-1/b12-8-.
What are the key properties of (Z)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enoate?
(Z)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enoate has a molecular weight of 247.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 2376836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).