2-[(E)-4,4,4-trifluorobut-2-en-2-yl]-1-benzofuran

C12H9F3O — CID 134858852

IUPAC2-[(E)-4,4,4-trifluorobut-2-en-2-yl]-1-benzofuran
SMILESC/C(=C\C(F)(F)F)c1cc2ccccc2o1
InChIInChI=1S/C12H9F3O/c1-8(7-12(13,14)15)11-6-9-4-2-3-5-10(9)16-11/h2-7H,1H3/b8-7+
InChIKeyZBOJBBCTYAZOMI-BQYQJAHWSA-N
MW226.20 g/mol
LogP4.40
Rot. Bonds1

About 2-[(E)-4,4,4-trifluorobut-2-en-2-yl]-1-benzofuran

2-[(E)-4,4,4-trifluorobut-2-en-2-yl]-1-benzofuran (PubChem CID 134858852) has the molecular formula C12H9F3O and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-[(E)-4,4,4-trifluorobut-2-en-2-yl]-1-benzofuran.

Molecular Properties

Compound Name2-[(E)-4,4,4-trifluorobut-2-en-2-yl]-1-benzofuran
PubChem CID134858852
Molecular FormulaC12H9F3O
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Name2-[(E)-4,4,4-trifluorobut-2-en-2-yl]-1-benzofuran
SMILESC/C(=C\C(F)(F)F)c1cc2ccccc2o1
InChIInChI=1S/C12H9F3O/c1-8(7-12(13,14)15)11-6-9-4-2-3-5-10(9)16-11/h2-7H,1H3/b8-7+
InChIKeyZBOJBBCTYAZOMI-BQYQJAHWSA-N
XLogP4.40
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 103971192
1-(1-benzofuran-2-yl)ethanone
CID 15435
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CID 114737015
1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 13148492
1-benzofuran-2-carboxamide;hydrate;dihydrochloride
CID 144595737
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-N-methylmethanamine
CID 59951457
1-[3-(1-benzofuran-2-yl)but-2-enyl]imidazole
CID 73178422
ethyl 3-(1-benzofuran-2-yl)-2,2-difluoro-3-oxopropanoate
CID 63089558
tert-butyl 1-benzofuran-2-carboxylate
CID 63896278
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735
1-(1-benzofuran-2-yl)-3,3-dimethylbutan-1-one
CID 114725277
(E)-1-(1-benzofuran-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 6040937

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4,4,4-trifluorobut-2-en-2-yl]-1-benzofuran?
The IUPAC name of 2-[(E)-4,4,4-trifluorobut-2-en-2-yl]-1-benzofuran (CID 134858852) is 2-[(E)-4,4,4-trifluorobut-2-en-2-yl]-1-benzofuran.
What is the SMILES notation for 2-[(E)-4,4,4-trifluorobut-2-en-2-yl]-1-benzofuran?
The canonical SMILES for 2-[(E)-4,4,4-trifluorobut-2-en-2-yl]-1-benzofuran is C/C(=C\C(F)(F)F)c1cc2ccccc2o1.
What is the InChIKey of 2-[(E)-4,4,4-trifluorobut-2-en-2-yl]-1-benzofuran?
The InChIKey is ZBOJBBCTYAZOMI-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H9F3O/c1-8(7-12(13,14)15)11-6-9-4-2-3-5-10(9)16-11/h2-7H,1H3/b8-7+.
What are the key properties of 2-[(E)-4,4,4-trifluorobut-2-en-2-yl]-1-benzofuran?
2-[(E)-4,4,4-trifluorobut-2-en-2-yl]-1-benzofuran has a molecular weight of 226.20 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4,4,4-trifluorobut-2-en-2-yl]-1-benzofuran is sourced from PubChem (CID 134858852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).