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

C10H11FO3 — CID 117287632

IUPAC1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
SMILESCC(O)c1cc(F)c2c(c1)OCCO2
InChIInChI=1S/C10H11FO3/c1-6(12)7-4-8(11)10-9(5-7)13-2-3-14-10/h4-6,12H,2-3H2,1H3
InChIKeyMMVDNNFMSDGUEV-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.65
Rot. Bonds1

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

1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol (PubChem CID 117287632) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
PubChem CID117287632
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
SMILESCC(O)c1cc(F)c2c(c1)OCCO2
InChIInChI=1S/C10H11FO3/c1-6(12)7-4-8(11)10-9(5-7)13-2-3-14-10/h4-6,12H,2-3H2,1H3
InChIKeyMMVDNNFMSDGUEV-UHFFFAOYSA-N
XLogP1.65
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid
CID 117328174
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-amine
CID 117323253
methyl 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetate
CID 117357003
1-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 117443577
5,7-difluoro-2,3-dihydro-1,4-benzodioxine
CID 123274623
3-amino-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propanoic acid
CID 117354502
1-(7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 117470076
1-(7-fluoro-1,3-benzodioxol-5-yl)-2-(methylamino)ethanol
CID 117303666
2-amino-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutan-1-ol
CID 113291524
2-(7-fluoro-1,3-benzodioxol-5-yl)propan-1-amine
CID 117286816
2-(7-fluoro-1,3-benzodioxol-5-yl)-2-hydroxyacetic acid
CID 117304924
3-amino-3-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoic acid
CID 117390644

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol (CID 117287632) is 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol is CC(O)c1cc(F)c2c(c1)OCCO2.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol?
The InChIKey is MMVDNNFMSDGUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-6(12)7-4-8(11)10-9(5-7)13-2-3-14-10/h4-6,12H,2-3H2,1H3.
What are the key properties of 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol?
1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol has a molecular weight of 198.19 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol is sourced from PubChem (CID 117287632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).