4-(trifluoromethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran

C11H9F3O2 — CID 116986341

IUPAC4-(trifluoromethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran
SMILESFC(F)(F)c1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C11H9F3O2/c12-11(13,14)9-7-2-4-15-8(7)5-6-1-3-16-10(6)9/h5H,1-4H2
InChIKeyHPKYBXGUXIBJIW-UHFFFAOYSA-N
MW230.18 g/mol
LogP2.58
Rot. Bonds

About 4-(trifluoromethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran

4-(trifluoromethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran (PubChem CID 116986341) has the molecular formula C11H9F3O2 and a molecular weight of 230.18 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran.

Molecular Properties

Compound Name4-(trifluoromethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran
PubChem CID116986341
Molecular FormulaC11H9F3O2
Molecular Weight230.18 g/mol
Exact Mass230.06
IUPAC Name4-(trifluoromethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran
SMILESFC(F)(F)c1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C11H9F3O2/c12-11(13,14)9-7-2-4-15-8(7)5-6-1-3-16-10(6)9/h5H,1-4H2
InChIKeyHPKYBXGUXIBJIW-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[(2R)-1-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-2-yl]acetamide
CID 10543332
2,2,2-trifluoro-N-[(2S)-1-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-2-yl]acetamide
CID 10639049
piperidin-1-yl(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methanone
CID 113199930
4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclohexan-1-ol
CID 116986304
3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid
CID 115010687
N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide
CID 113096330
2-methyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-1-amine
CID 116986250
N-phenyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200012
1-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 113217836
5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 83397414
3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)aniline
CID 116986264
[3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetan-3-yl]methanol
CID 116986325

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran?
The IUPAC name of 4-(trifluoromethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran (CID 116986341) is 4-(trifluoromethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran.
What is the SMILES notation for 4-(trifluoromethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran?
The canonical SMILES for 4-(trifluoromethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran is FC(F)(F)c1c2c(cc3c1OCC3)OCC2.
What is the InChIKey of 4-(trifluoromethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran?
The InChIKey is HPKYBXGUXIBJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O2/c12-11(13,14)9-7-2-4-15-8(7)5-6-1-3-16-10(6)9/h5H,1-4H2.
What are the key properties of 4-(trifluoromethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran?
4-(trifluoromethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran has a molecular weight of 230.18 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran is sourced from PubChem (CID 116986341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).