7-deuterio-5-fluoro-2,3-dihydro-1,4-benzodioxine

C8H7FO2 — CID 175730676

IUPAC7-deuterio-5-fluoro-2,3-dihydro-1,4-benzodioxine
SMILES[2H]c1cc(F)c2c(c1)OCCO2
InChIInChI=1S/C8H7FO2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3H,4-5H2/i1D
InChIKeyDRSLFPHWBGATPA-MICDWDOJSA-N
MW155.15 g/mol
LogP1.60
Rot. Bonds

About 7-deuterio-5-fluoro-2,3-dihydro-1,4-benzodioxine

7-deuterio-5-fluoro-2,3-dihydro-1,4-benzodioxine (PubChem CID 175730676) has the molecular formula C8H7FO2 and a molecular weight of 155.15 g/mol. Its IUPAC name is 7-deuterio-5-fluoro-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name7-deuterio-5-fluoro-2,3-dihydro-1,4-benzodioxine
PubChem CID175730676
Molecular FormulaC8H7FO2
Molecular Weight155.15 g/mol
Exact Mass155.05
IUPAC Name7-deuterio-5-fluoro-2,3-dihydro-1,4-benzodioxine
SMILES[2H]c1cc(F)c2c(c1)OCCO2
InChIInChI=1S/C8H7FO2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3H,4-5H2/i1D
InChIKeyDRSLFPHWBGATPA-MICDWDOJSA-N
XLogP1.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxine;5-fluoro-2,3-dihydro-1,4-benzodioxine
CID 159702356
5,7-difluoro-2,3-dihydro-1,4-benzodioxine
CID 123274623
O-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine
CID 117288202
2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetic acid
CID 117324699
6-fluoro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 84668016
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine
CID 68501402
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117302751
7-fluoro-5-methyl-2,3-dihydro-1,4-benzodioxine
CID 20821264
2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine
CID 105119551
5-cyclopropyl-2,3-dihydro-1,4-benzodioxine
CID 54515769
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 117302508

Frequently Asked Questions

What is the IUPAC name of 7-deuterio-5-fluoro-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 7-deuterio-5-fluoro-2,3-dihydro-1,4-benzodioxine (CID 175730676) is 7-deuterio-5-fluoro-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 7-deuterio-5-fluoro-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 7-deuterio-5-fluoro-2,3-dihydro-1,4-benzodioxine is [2H]c1cc(F)c2c(c1)OCCO2.
What is the InChIKey of 7-deuterio-5-fluoro-2,3-dihydro-1,4-benzodioxine?
The InChIKey is DRSLFPHWBGATPA-MICDWDOJSA-N. The full InChI is InChI=1S/C8H7FO2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3H,4-5H2/i1D.
What are the key properties of 7-deuterio-5-fluoro-2,3-dihydro-1,4-benzodioxine?
7-deuterio-5-fluoro-2,3-dihydro-1,4-benzodioxine has a molecular weight of 155.15 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-deuterio-5-fluoro-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 175730676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).