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

C11H13FO3 — CID 81113494

IUPAC6-(3-fluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol
SMILESOC1COc2cc(OCCCF)ccc21
InChIInChI=1S/C11H13FO3/c12-4-1-5-14-8-2-3-9-10(13)7-15-11(9)6-8/h2-3,6,10,13H,1,4-5,7H2
InChIKeyJLZAVQFWIUZJSK-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.85
Rot. Bonds4

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

6-(3-fluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol (PubChem CID 81113494) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 6-(3-fluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol.

Molecular Properties

Compound Name6-(3-fluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol
PubChem CID81113494
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name6-(3-fluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol
SMILESOC1COc2cc(OCCCF)ccc21
InChIInChI=1S/C11H13FO3/c12-4-1-5-14-8-2-3-9-10(13)7-15-11(9)6-8/h2-3,6,10,13H,1,4-5,7H2
InChIKeyJLZAVQFWIUZJSK-UHFFFAOYSA-N
XLogP1.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol?
The IUPAC name of 6-(3-fluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol (CID 81113494) is 6-(3-fluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol.
What is the SMILES notation for 6-(3-fluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol?
The canonical SMILES for 6-(3-fluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol is OC1COc2cc(OCCCF)ccc21.
What is the InChIKey of 6-(3-fluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol?
The InChIKey is JLZAVQFWIUZJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c12-4-1-5-14-8-2-3-9-10(13)7-15-11(9)6-8/h2-3,6,10,13H,1,4-5,7H2.
What are the key properties of 6-(3-fluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol?
6-(3-fluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol has a molecular weight of 212.22 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol is sourced from PubChem (CID 81113494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).