2-(7-fluoro-1,5-dihydro-2,4-benzodioxepin-3-yl)ethanol

C11H13FO3 — CID 115062761

IUPAC2-(7-fluoro-1,5-dihydro-2,4-benzodioxepin-3-yl)ethanol
SMILESOCCC1OCc2ccc(F)cc2CO1
InChIInChI=1S/C11H13FO3/c12-10-2-1-8-6-14-11(3-4-13)15-7-9(8)5-10/h1-2,5,11,13H,3-4,6-7H2
InChIKeyIEXNEZUMQSCNKQ-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.58
Rot. Bonds2

About 2-(7-fluoro-1,5-dihydro-2,4-benzodioxepin-3-yl)ethanol

2-(7-fluoro-1,5-dihydro-2,4-benzodioxepin-3-yl)ethanol (PubChem CID 115062761) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-(7-fluoro-1,5-dihydro-2,4-benzodioxepin-3-yl)ethanol.

Molecular Properties

Compound Name2-(7-fluoro-1,5-dihydro-2,4-benzodioxepin-3-yl)ethanol
PubChem CID115062761
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name2-(7-fluoro-1,5-dihydro-2,4-benzodioxepin-3-yl)ethanol
SMILESOCCC1OCc2ccc(F)cc2CO1
InChIInChI=1S/C11H13FO3/c12-10-2-1-8-6-14-11(3-4-13)15-7-9(8)5-10/h1-2,5,11,13H,3-4,6-7H2
InChIKeyIEXNEZUMQSCNKQ-UHFFFAOYSA-N
XLogP1.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol
CID 82080641
2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanol
CID 105449024
(3S,4R)-6-fluoro-3-methyl-3,4-dihydro-1H-isochromen-4-amine
CID 134223128
2-(5-chloro-1,3-dihydro-2-benzofuran-1-yl)ethanol
CID 69306515
1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
CID 14230259
4-[(7-chloro-1,5-dihydro-2,4-benzodioxepin-3-yl)methyl]piperidine
CID 115062623
2-[cyclobutyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]ethanol
CID 102870121
6-fluoro-3-methylidene-1,4-dihydroisochromene;methanamine
CID 142279436
2-[2-(2,4-difluorophenyl)sulfanylethyl]-1,3-dioxane
CID 66475176
2-[2-[(3-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanol
CID 117169456
7-fluorospiro[1,5-dihydro-2,4-benzodioxepine-3,4'-piperidine]
CID 115062771
2-(6-fluoro-3-methyl-2,3-dihydro-1H-inden-1-yl)ethanol
CID 82075944

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1,5-dihydro-2,4-benzodioxepin-3-yl)ethanol?
The IUPAC name of 2-(7-fluoro-1,5-dihydro-2,4-benzodioxepin-3-yl)ethanol (CID 115062761) is 2-(7-fluoro-1,5-dihydro-2,4-benzodioxepin-3-yl)ethanol.
What is the SMILES notation for 2-(7-fluoro-1,5-dihydro-2,4-benzodioxepin-3-yl)ethanol?
The canonical SMILES for 2-(7-fluoro-1,5-dihydro-2,4-benzodioxepin-3-yl)ethanol is OCCC1OCc2ccc(F)cc2CO1.
What is the InChIKey of 2-(7-fluoro-1,5-dihydro-2,4-benzodioxepin-3-yl)ethanol?
The InChIKey is IEXNEZUMQSCNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c12-10-2-1-8-6-14-11(3-4-13)15-7-9(8)5-10/h1-2,5,11,13H,3-4,6-7H2.
What are the key properties of 2-(7-fluoro-1,5-dihydro-2,4-benzodioxepin-3-yl)ethanol?
2-(7-fluoro-1,5-dihydro-2,4-benzodioxepin-3-yl)ethanol has a molecular weight of 212.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1,5-dihydro-2,4-benzodioxepin-3-yl)ethanol is sourced from PubChem (CID 115062761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).