(E)-2-fluoro-3-thiophen-3-ylprop-2-enal

C7H5FOS — CID 46188442

IUPAC(E)-2-fluoro-3-thiophen-3-ylprop-2-enal
SMILESO=C/C(F)=C\c1ccsc1
InChIInChI=1S/C7H5FOS/c8-7(4-9)3-6-1-2-10-5-6/h1-5H/b7-3+
InChIKeyNBYYBXGOAHOMBH-XVNBXDOJSA-N
MW156.18 g/mol
LogP2.26
Rot. Bonds2

About (E)-2-fluoro-3-thiophen-3-ylprop-2-enal

(E)-2-fluoro-3-thiophen-3-ylprop-2-enal (PubChem CID 46188442) has the molecular formula C7H5FOS and a molecular weight of 156.18 g/mol. Its IUPAC name is (E)-2-fluoro-3-thiophen-3-ylprop-2-enal.

Molecular Properties

Compound Name(E)-2-fluoro-3-thiophen-3-ylprop-2-enal
PubChem CID46188442
Molecular FormulaC7H5FOS
Molecular Weight156.18 g/mol
Exact Mass156.00
IUPAC Name(E)-2-fluoro-3-thiophen-3-ylprop-2-enal
SMILESO=C/C(F)=C\c1ccsc1
InChIInChI=1S/C7H5FOS/c8-7(4-9)3-6-1-2-10-5-6/h1-5H/b7-3+
InChIKeyNBYYBXGOAHOMBH-XVNBXDOJSA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-3-thiophen-3-ylprop-2-enal?
The IUPAC name of (E)-2-fluoro-3-thiophen-3-ylprop-2-enal (CID 46188442) is (E)-2-fluoro-3-thiophen-3-ylprop-2-enal.
What is the SMILES notation for (E)-2-fluoro-3-thiophen-3-ylprop-2-enal?
The canonical SMILES for (E)-2-fluoro-3-thiophen-3-ylprop-2-enal is O=C/C(F)=C\c1ccsc1.
What is the InChIKey of (E)-2-fluoro-3-thiophen-3-ylprop-2-enal?
The InChIKey is NBYYBXGOAHOMBH-XVNBXDOJSA-N. The full InChI is InChI=1S/C7H5FOS/c8-7(4-9)3-6-1-2-10-5-6/h1-5H/b7-3+.
What are the key properties of (E)-2-fluoro-3-thiophen-3-ylprop-2-enal?
(E)-2-fluoro-3-thiophen-3-ylprop-2-enal has a molecular weight of 156.18 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-3-thiophen-3-ylprop-2-enal is sourced from PubChem (CID 46188442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).