2-fluoro-3-thiophen-3-ylprop-2-enoic acid

C7H5FO2S — CID 79725578

IUPAC2-fluoro-3-thiophen-3-ylprop-2-enoic acid
SMILESO=C(O)C(F)=Cc1ccsc1
InChIInChI=1S/C7H5FO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-4H,(H,9,10)
InChIKeyVLUSHHPCYFFWKC-UHFFFAOYSA-N
MW172.18 g/mol
LogP2.14
Rot. Bonds2

About 2-fluoro-3-thiophen-3-ylprop-2-enoic acid

2-fluoro-3-thiophen-3-ylprop-2-enoic acid (PubChem CID 79725578) has the molecular formula C7H5FO2S and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-fluoro-3-thiophen-3-ylprop-2-enoic acid.

Molecular Properties

Compound Name2-fluoro-3-thiophen-3-ylprop-2-enoic acid
PubChem CID79725578
Molecular FormulaC7H5FO2S
Molecular Weight172.18 g/mol
Exact Mass172.00
IUPAC Name2-fluoro-3-thiophen-3-ylprop-2-enoic acid
SMILESO=C(O)C(F)=Cc1ccsc1
InChIInChI=1S/C7H5FO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-4H,(H,9,10)
InChIKeyVLUSHHPCYFFWKC-UHFFFAOYSA-N
XLogP2.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 52.14
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

(2E)-3-(3-Thienyl)-2-propenoic acid
CID 735793
(E)-2-cyano-3-(thiophen-3-yl)acrylic acid
CID 16784791
(2E)-3-(2-bromothiophen-3-yl)prop-2-enoic acid
CID 21813557
2-Cyano-3-(thiophen-3-yl)prop-2-enoic acid
CID 51072048
3-Thiophen-3-yl-acrylic acid methyl ester
CID 5372373
2-Propenoic acid, 3-(3-thienyl)-
CID 102020
(2E)-3-[2-(trifluoromethyl)thiophen-3-yl]prop-2-enoic acid
CID 124251934
(Z)-2-sulfanyl-3-thiophen-3-ylprop-2-enoic acid
CID 12475297
(E)-3-thiophen-3-ylprop-2-enoate
CID 5566013
Hydroxy-3-(3-thienyl)acrylic acid
CID 57047889
2-Fluoro-4-(3-methylthiophen-2-yl)but-2-enoic acid
CID 69132610
2-[(1-Carboxy-2-thiophen-3-ylethenyl)disulfanyl]-3-thiophen-3-ylprop-2-enoic acid
CID 88727849

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-thiophen-3-ylprop-2-enoic acid?
The IUPAC name of 2-fluoro-3-thiophen-3-ylprop-2-enoic acid (CID 79725578) is 2-fluoro-3-thiophen-3-ylprop-2-enoic acid.
What is the SMILES notation for 2-fluoro-3-thiophen-3-ylprop-2-enoic acid?
The canonical SMILES for 2-fluoro-3-thiophen-3-ylprop-2-enoic acid is O=C(O)C(F)=Cc1ccsc1.
What is the InChIKey of 2-fluoro-3-thiophen-3-ylprop-2-enoic acid?
The InChIKey is VLUSHHPCYFFWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-4H,(H,9,10).
What are the key properties of 2-fluoro-3-thiophen-3-ylprop-2-enoic acid?
2-fluoro-3-thiophen-3-ylprop-2-enoic acid has a molecular weight of 172.18 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-thiophen-3-ylprop-2-enoic acid is sourced from PubChem (CID 79725578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).