(3Z)-3-(thiophen-2-ylmethylidene)-1-(trifluoromethyl)-1H-2-benzofuran

C14H9F3OS — CID 72793205

IUPAC(3Z)-3-(thiophen-2-ylmethylidene)-1-(trifluoromethyl)-1H-2-benzofuran
SMILESFC(F)(F)C1O/C(=C\c2cccs2)c2ccccc21
InChIInChI=1S/C14H9F3OS/c15-14(16,17)13-11-6-2-1-5-10(11)12(18-13)8-9-4-3-7-19-9/h1-8,13H/b12-8-
InChIKeyAAHQACLZOUQZGL-WQLSENKSSA-N
MW282.29 g/mol
LogP4.88
Rot. Bonds1

About (3Z)-3-(thiophen-2-ylmethylidene)-1-(trifluoromethyl)-1H-2-benzofuran

(3Z)-3-(thiophen-2-ylmethylidene)-1-(trifluoromethyl)-1H-2-benzofuran (PubChem CID 72793205) has the molecular formula C14H9F3OS and a molecular weight of 282.29 g/mol. Its IUPAC name is (3Z)-3-(thiophen-2-ylmethylidene)-1-(trifluoromethyl)-1H-2-benzofuran.

Molecular Properties

Compound Name(3Z)-3-(thiophen-2-ylmethylidene)-1-(trifluoromethyl)-1H-2-benzofuran
PubChem CID72793205
Molecular FormulaC14H9F3OS
Molecular Weight282.29 g/mol
Exact Mass282.03
IUPAC Name(3Z)-3-(thiophen-2-ylmethylidene)-1-(trifluoromethyl)-1H-2-benzofuran
SMILESFC(F)(F)C1O/C(=C\c2cccs2)c2ccccc21
InChIInChI=1S/C14H9F3OS/c15-14(16,17)13-11-6-2-1-5-10(11)12(18-13)8-9-4-3-7-19-9/h1-8,13H/b12-8-
InChIKeyAAHQACLZOUQZGL-WQLSENKSSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(thiophen-2-ylmethylidene)-1-(trifluoromethyl)-1H-2-benzofuran?
The IUPAC name of (3Z)-3-(thiophen-2-ylmethylidene)-1-(trifluoromethyl)-1H-2-benzofuran (CID 72793205) is (3Z)-3-(thiophen-2-ylmethylidene)-1-(trifluoromethyl)-1H-2-benzofuran.
What is the SMILES notation for (3Z)-3-(thiophen-2-ylmethylidene)-1-(trifluoromethyl)-1H-2-benzofuran?
The canonical SMILES for (3Z)-3-(thiophen-2-ylmethylidene)-1-(trifluoromethyl)-1H-2-benzofuran is FC(F)(F)C1O/C(=C\c2cccs2)c2ccccc21.
What is the InChIKey of (3Z)-3-(thiophen-2-ylmethylidene)-1-(trifluoromethyl)-1H-2-benzofuran?
The InChIKey is AAHQACLZOUQZGL-WQLSENKSSA-N. The full InChI is InChI=1S/C14H9F3OS/c15-14(16,17)13-11-6-2-1-5-10(11)12(18-13)8-9-4-3-7-19-9/h1-8,13H/b12-8-.
What are the key properties of (3Z)-3-(thiophen-2-ylmethylidene)-1-(trifluoromethyl)-1H-2-benzofuran?
(3Z)-3-(thiophen-2-ylmethylidene)-1-(trifluoromethyl)-1H-2-benzofuran has a molecular weight of 282.29 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(thiophen-2-ylmethylidene)-1-(trifluoromethyl)-1H-2-benzofuran is sourced from PubChem (CID 72793205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).