5-[3-(trifluoromethyl)oxetan-3-yl]-2,3-dihydro-1-benzofuran

C12H11F3O2 — CID 116875895

IUPAC5-[3-(trifluoromethyl)oxetan-3-yl]-2,3-dihydro-1-benzofuran
SMILESFC(F)(F)C1(c2ccc3c(c2)CCO3)COC1
InChIInChI=1S/C12H11F3O2/c13-12(14,15)11(6-16-7-11)9-1-2-10-8(5-9)3-4-17-10/h1-2,5H,3-4,6-7H2
InChIKeyNAYPMHPBNVRANQ-UHFFFAOYSA-N
MW244.21 g/mol
LogP2.45
Rot. Bonds1

About 5-[3-(trifluoromethyl)oxetan-3-yl]-2,3-dihydro-1-benzofuran

5-[3-(trifluoromethyl)oxetan-3-yl]-2,3-dihydro-1-benzofuran (PubChem CID 116875895) has the molecular formula C12H11F3O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)oxetan-3-yl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)oxetan-3-yl]-2,3-dihydro-1-benzofuran
PubChem CID116875895
Molecular FormulaC12H11F3O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name5-[3-(trifluoromethyl)oxetan-3-yl]-2,3-dihydro-1-benzofuran
SMILESFC(F)(F)C1(c2ccc3c(c2)CCO3)COC1
InChIInChI=1S/C12H11F3O2/c13-12(14,15)11(6-16-7-11)9-1-2-10-8(5-9)3-4-17-10/h1-2,5H,3-4,6-7H2
InChIKeyNAYPMHPBNVRANQ-UHFFFAOYSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]-2-methylpropan-1-amine
CID 116869948
[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]methanamine
CID 116829665
1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine
CID 104542199
5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 83397414
3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]-2-methylpropan-1-amine
CID 116870294
3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]pyrrolidine
CID 116870898
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]methanol
CID 105426415
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 82608645
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylcyclobutan-1-ol
CID 103564717
1-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylcyclohexan-1-ol
CID 104542080
6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene
CID 82468795
7-(2,3-dihydro-1-benzofuran-5-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171960062

Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)oxetan-3-yl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[3-(trifluoromethyl)oxetan-3-yl]-2,3-dihydro-1-benzofuran (CID 116875895) is 5-[3-(trifluoromethyl)oxetan-3-yl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[3-(trifluoromethyl)oxetan-3-yl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[3-(trifluoromethyl)oxetan-3-yl]-2,3-dihydro-1-benzofuran is FC(F)(F)C1(c2ccc3c(c2)CCO3)COC1.
What is the InChIKey of 5-[3-(trifluoromethyl)oxetan-3-yl]-2,3-dihydro-1-benzofuran?
The InChIKey is NAYPMHPBNVRANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O2/c13-12(14,15)11(6-16-7-11)9-1-2-10-8(5-9)3-4-17-10/h1-2,5H,3-4,6-7H2.
What are the key properties of 5-[3-(trifluoromethyl)oxetan-3-yl]-2,3-dihydro-1-benzofuran?
5-[3-(trifluoromethyl)oxetan-3-yl]-2,3-dihydro-1-benzofuran has a molecular weight of 244.21 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)oxetan-3-yl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 116875895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).