(E)-2-(3-fluorothiophen-2-yl)ethenamine

C6H6FNS — CID 170738704

IUPAC(E)-2-(3-fluorothiophen-2-yl)ethenamine
SMILESN/C=C/c1sccc1F
InChIInChI=1S/C6H6FNS/c7-5-2-4-9-6(5)1-3-8/h1-4H,8H2/b3-1+
InChIKeyWSUYTVMLBNLUHD-HNQUOIGGSA-N
MW143.19 g/mol
LogP1.82
Rot. Bonds1

About (E)-2-(3-fluorothiophen-2-yl)ethenamine

(E)-2-(3-fluorothiophen-2-yl)ethenamine (PubChem CID 170738704) has the molecular formula C6H6FNS and a molecular weight of 143.19 g/mol. Its IUPAC name is (E)-2-(3-fluorothiophen-2-yl)ethenamine.

Molecular Properties

Compound Name(E)-2-(3-fluorothiophen-2-yl)ethenamine
PubChem CID170738704
Molecular FormulaC6H6FNS
Molecular Weight143.19 g/mol
Exact Mass143.02
IUPAC Name(E)-2-(3-fluorothiophen-2-yl)ethenamine
SMILESN/C=C/c1sccc1F
InChIInChI=1S/C6H6FNS/c7-5-2-4-9-6(5)1-3-8/h1-4H,8H2/b3-1+
InChIKeyWSUYTVMLBNLUHD-HNQUOIGGSA-N
XLogP1.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(3-fluorothiophen-2-yl)ethenamine?
The IUPAC name of (E)-2-(3-fluorothiophen-2-yl)ethenamine (CID 170738704) is (E)-2-(3-fluorothiophen-2-yl)ethenamine.
What is the SMILES notation for (E)-2-(3-fluorothiophen-2-yl)ethenamine?
The canonical SMILES for (E)-2-(3-fluorothiophen-2-yl)ethenamine is N/C=C/c1sccc1F.
What is the InChIKey of (E)-2-(3-fluorothiophen-2-yl)ethenamine?
The InChIKey is WSUYTVMLBNLUHD-HNQUOIGGSA-N. The full InChI is InChI=1S/C6H6FNS/c7-5-2-4-9-6(5)1-3-8/h1-4H,8H2/b3-1+.
What are the key properties of (E)-2-(3-fluorothiophen-2-yl)ethenamine?
(E)-2-(3-fluorothiophen-2-yl)ethenamine has a molecular weight of 143.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-fluorothiophen-2-yl)ethenamine is sourced from PubChem (CID 170738704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).