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

C9H9FO2 — CID 20821264

IUPAC7-fluoro-5-methyl-2,3-dihydro-1,4-benzodioxine
SMILESCc1cc(F)cc2c1OCCO2
InChIInChI=1S/C9H9FO2/c1-6-4-7(10)5-8-9(6)12-3-2-11-8/h4-5H,2-3H2,1H3
InChIKeyUXRGZWKBQKBNTQ-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.91
Rot. Bonds

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

7-fluoro-5-methyl-2,3-dihydro-1,4-benzodioxine (PubChem CID 20821264) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 7-fluoro-5-methyl-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name7-fluoro-5-methyl-2,3-dihydro-1,4-benzodioxine
PubChem CID20821264
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name7-fluoro-5-methyl-2,3-dihydro-1,4-benzodioxine
SMILESCc1cc(F)cc2c1OCCO2
InChIInChI=1S/C9H9FO2/c1-6-4-7(10)5-8-9(6)12-3-2-11-8/h4-5H,2-3H2,1H3
InChIKeyUXRGZWKBQKBNTQ-UHFFFAOYSA-N
XLogP1.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-difluoro-2,3-dihydro-1,4-benzodioxine
CID 123274623
5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol
CID 84652316
4-fluoro-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide
CID 3457663
2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 117284513
6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 55293947
5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine
CID 20765776
5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-7-fluoro-2,3-dihydro-1,4-benzodioxine
CID 156737877
2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117297535
1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 117297581
(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol
CID 117284628
2,3-dihydro-1,4-benzodioxin-5-yl-(4-fluoro-2-methylphenyl)methanamine
CID 105142758
4-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-5-(trifluoromethyl)benzene-1,2-diol;methanamine
CID 143663570

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methyl-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 7-fluoro-5-methyl-2,3-dihydro-1,4-benzodioxine (CID 20821264) is 7-fluoro-5-methyl-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 7-fluoro-5-methyl-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 7-fluoro-5-methyl-2,3-dihydro-1,4-benzodioxine is Cc1cc(F)cc2c1OCCO2.
What is the InChIKey of 7-fluoro-5-methyl-2,3-dihydro-1,4-benzodioxine?
The InChIKey is UXRGZWKBQKBNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c1-6-4-7(10)5-8-9(6)12-3-2-11-8/h4-5H,2-3H2,1H3.
What are the key properties of 7-fluoro-5-methyl-2,3-dihydro-1,4-benzodioxine?
7-fluoro-5-methyl-2,3-dihydro-1,4-benzodioxine has a molecular weight of 168.17 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methyl-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 20821264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).