(3Z)-3-benzylidene-1-(trifluoromethyl)-1H-2-benzofuran

C16H11F3O — CID 102599943

IUPAC(3Z)-3-benzylidene-1-(trifluoromethyl)-1H-2-benzofuran
SMILESFC(F)(F)C1O/C(=C\c2ccccc2)c2ccccc21
InChIInChI=1S/C16H11F3O/c17-16(18,19)15-13-9-5-4-8-12(13)14(20-15)10-11-6-2-1-3-7-11/h1-10,15H/b14-10-
InChIKeyZSTHTUQSJJVERX-UVTDQMKNSA-N
MW276.26 g/mol
LogP4.82
Rot. Bonds1

About (3Z)-3-benzylidene-1-(trifluoromethyl)-1H-2-benzofuran

(3Z)-3-benzylidene-1-(trifluoromethyl)-1H-2-benzofuran (PubChem CID 102599943) has the molecular formula C16H11F3O and a molecular weight of 276.26 g/mol. Its IUPAC name is (3Z)-3-benzylidene-1-(trifluoromethyl)-1H-2-benzofuran.

Molecular Properties

Compound Name(3Z)-3-benzylidene-1-(trifluoromethyl)-1H-2-benzofuran
PubChem CID102599943
Molecular FormulaC16H11F3O
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name(3Z)-3-benzylidene-1-(trifluoromethyl)-1H-2-benzofuran
SMILESFC(F)(F)C1O/C(=C\c2ccccc2)c2ccccc21
InChIInChI=1S/C16H11F3O/c17-16(18,19)15-13-9-5-4-8-12(13)14(20-15)10-11-6-2-1-3-7-11/h1-10,15H/b14-10-
InChIKeyZSTHTUQSJJVERX-UVTDQMKNSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dihydroisobenzofuran
CID 10327
(1R,7S,7aR)-1-(2-fluorophenyl)-4-methyl-7-prop-1-en-2-yl-1,6,7,7a-tetrahydro-2-benzofuran
CID 46186906
1,4-Dihydro-1,4-epoxynaphthalene
CID 97139
Furan, 2,5-diphenyl-tetrahydro-
CID 576417
benzyl (2Z)-2-(3H-2-benzofuran-1-ylidene)acetate
CID 53384053
2,2-Bis(4-fluorophenyl)tetrahydrofuran
CID 96739
Calyxolane A
CID 10609194
Calyxolane B
CID 10775525
1,4-Epoxy-1,2,3,4-tetrahydronaphthalene
CID 141969
1,1,3,3-Tetrafluoro-1,3-dihydroisobenzofuran
CID 11805545
6,7-Difluoro-1,4-epoxy-1,4-dihydronaphthalene
CID 12037073
1,1'-[Oxybis(2,2,2-trifluoro-1,1-ethanediyl)]dibenzene
CID 13207006

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-benzylidene-1-(trifluoromethyl)-1H-2-benzofuran?
The IUPAC name of (3Z)-3-benzylidene-1-(trifluoromethyl)-1H-2-benzofuran (CID 102599943) is (3Z)-3-benzylidene-1-(trifluoromethyl)-1H-2-benzofuran.
What is the SMILES notation for (3Z)-3-benzylidene-1-(trifluoromethyl)-1H-2-benzofuran?
The canonical SMILES for (3Z)-3-benzylidene-1-(trifluoromethyl)-1H-2-benzofuran is FC(F)(F)C1O/C(=C\c2ccccc2)c2ccccc21.
What is the InChIKey of (3Z)-3-benzylidene-1-(trifluoromethyl)-1H-2-benzofuran?
The InChIKey is ZSTHTUQSJJVERX-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H11F3O/c17-16(18,19)15-13-9-5-4-8-12(13)14(20-15)10-11-6-2-1-3-7-11/h1-10,15H/b14-10-.
What are the key properties of (3Z)-3-benzylidene-1-(trifluoromethyl)-1H-2-benzofuran?
(3Z)-3-benzylidene-1-(trifluoromethyl)-1H-2-benzofuran has a molecular weight of 276.26 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-benzylidene-1-(trifluoromethyl)-1H-2-benzofuran is sourced from PubChem (CID 102599943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).