6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol

C11H11F3O3 — CID 64566719

IUPAC6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol
SMILESOC1COc2cc(OCCC(F)(F)F)ccc21
InChIInChI=1S/C11H11F3O3/c12-11(13,14)3-4-16-7-1-2-8-9(15)6-17-10(8)5-7/h1-2,5,9,15H,3-4,6H2
InChIKeyBQLCWYQAWJGPPF-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.44
Rot. Bonds3

About 6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol

6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol (PubChem CID 64566719) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol.

Molecular Properties

Compound Name6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol
PubChem CID64566719
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol
SMILESOC1COc2cc(OCCC(F)(F)F)ccc21
InChIInChI=1S/C11H11F3O3/c12-11(13,14)3-4-16-7-1-2-8-9(15)6-17-10(8)5-7/h1-2,5,9,15H,3-4,6H2
InChIKeyBQLCWYQAWJGPPF-UHFFFAOYSA-N
XLogP2.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-fluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 81113494
N-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 64553942
6-[2-(4-bromophenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 63096773
6-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 63901709
6-ethoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096598
5-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-2,2-dimethylpentanenitrile
CID 65255933
6-methoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096800
6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096948
6-[2-(1-methylpyrazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 103749474
6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 55178381
ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate
CID 63097126
6-[(3-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 63097123

Frequently Asked Questions

What is the IUPAC name of 6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol?
The IUPAC name of 6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol (CID 64566719) is 6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol.
What is the SMILES notation for 6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol?
The canonical SMILES for 6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol is OC1COc2cc(OCCC(F)(F)F)ccc21.
What is the InChIKey of 6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol?
The InChIKey is BQLCWYQAWJGPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c12-11(13,14)3-4-16-7-1-2-8-9(15)6-17-10(8)5-7/h1-2,5,9,15H,3-4,6H2.
What are the key properties of 6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol?
6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol has a molecular weight of 248.20 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol is sourced from PubChem (CID 64566719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).