(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol

C9H8BrFO3 — CID 117411650

IUPAC(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol
SMILESOCc1c(F)cc2c(c1Br)OCCO2
InChIInChI=1S/C9H8BrFO3/c10-8-5(4-12)6(11)3-7-9(8)14-2-1-13-7/h3,12H,1-2,4H2
InChIKeyXHTPXKSHFLIQRD-UHFFFAOYSA-N
MW263.06 g/mol
LogP1.85
Rot. Bonds1

About (5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol

(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol (PubChem CID 117411650) has the molecular formula C9H8BrFO3 and a molecular weight of 263.06 g/mol. Its IUPAC name is (5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol.

Molecular Properties

Compound Name(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol
PubChem CID117411650
Molecular FormulaC9H8BrFO3
Molecular Weight263.06 g/mol
Exact Mass261.96
IUPAC Name(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol
SMILESOCc1c(F)cc2c(c1Br)OCCO2
InChIInChI=1S/C9H8BrFO3/c10-8-5(4-12)6(11)3-7-9(8)14-2-1-13-7/h3,12H,1-2,4H2
InChIKeyXHTPXKSHFLIQRD-UHFFFAOYSA-N
XLogP1.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.06
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117470159
2-amino-2-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 117471433
(7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol
CID 117400769
1-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 117443577
2-(5-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117490435
3-(5-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117470162
2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 117432711
(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
CID 43143963
1-(5-bromo-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 84715496
2-(5-bromo-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 117460829
N-[(5-bromo-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]hydroxylamine
CID 117464987
3-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117329952

Frequently Asked Questions

What is the IUPAC name of (5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The IUPAC name of (5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol (CID 117411650) is (5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol.
What is the SMILES notation for (5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The canonical SMILES for (5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol is OCc1c(F)cc2c(c1Br)OCCO2.
What is the InChIKey of (5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The InChIKey is XHTPXKSHFLIQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO3/c10-8-5(4-12)6(11)3-7-9(8)14-2-1-13-7/h3,12H,1-2,4H2.
What are the key properties of (5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol has a molecular weight of 263.06 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol is sourced from PubChem (CID 117411650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).