6-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1-benzofuran-3-ol

C11H11F3O4 — CID 63901709

IUPAC6-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1-benzofuran-3-ol
SMILESOC1COc2cc(OCC(O)C(F)(F)F)ccc21
InChIInChI=1S/C11H11F3O4/c12-11(13,14)10(16)5-17-6-1-2-7-8(15)4-18-9(7)3-6/h1-3,8,10,15-16H,4-5H2
InChIKeyRVGQFCFNCXDNBO-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.41
Rot. Bonds3

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

6-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1-benzofuran-3-ol (PubChem CID 63901709) has the molecular formula C11H11F3O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is 6-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1-benzofuran-3-ol.

Molecular Properties

Compound Name6-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1-benzofuran-3-ol
PubChem CID63901709
Molecular FormulaC11H11F3O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Name6-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1-benzofuran-3-ol
SMILESOC1COc2cc(OCC(O)C(F)(F)F)ccc21
InChIInChI=1S/C11H11F3O4/c12-11(13,14)10(16)5-17-6-1-2-7-8(15)4-18-9(7)3-6/h1-3,8,10,15-16H,4-5H2
InChIKeyRVGQFCFNCXDNBO-UHFFFAOYSA-N
XLogP1.41
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 64566719
6-ethoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096598
6-(3-fluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 81113494
(1S)-5-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 114091258
6-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096962
6-[2-(4-bromophenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 63096773
6-methoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096800
6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096948
ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate
CID 63097126
6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 55178381
5-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-2,2-dimethylpentanenitrile
CID 65255933
2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-1-morpholin-4-ylethanone
CID 63096969

Frequently Asked Questions

What is the IUPAC name of 6-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1-benzofuran-3-ol?
The IUPAC name of 6-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1-benzofuran-3-ol (CID 63901709) is 6-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1-benzofuran-3-ol.
What is the SMILES notation for 6-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1-benzofuran-3-ol?
The canonical SMILES for 6-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1-benzofuran-3-ol is OC1COc2cc(OCC(O)C(F)(F)F)ccc21.
What is the InChIKey of 6-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1-benzofuran-3-ol?
The InChIKey is RVGQFCFNCXDNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O4/c12-11(13,14)10(16)5-17-6-1-2-7-8(15)4-18-9(7)3-6/h1-3,8,10,15-16H,4-5H2.
What are the key properties of 6-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1-benzofuran-3-ol?
6-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1-benzofuran-3-ol has a molecular weight of 264.20 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1-benzofuran-3-ol is sourced from PubChem (CID 63901709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).