2-(8-fluoro-4H-1,3-benzodioxin-6-yl)acetic acid

C10H9FO4 — CID 83885706

IUPAC2-(8-fluoro-4H-1,3-benzodioxin-6-yl)acetic acid
SMILESO=C(O)Cc1cc(F)c2c(c1)COCO2
InChIInChI=1S/C10H9FO4/c11-8-2-6(3-9(12)13)1-7-4-14-5-15-10(7)8/h1-2H,3-5H2,(H,12,13)
InChIKeyDPJXGQDZGCYCHN-UHFFFAOYSA-N
MW212.18 g/mol
LogP1.32
Rot. Bonds2

About 2-(8-fluoro-4H-1,3-benzodioxin-6-yl)acetic acid

2-(8-fluoro-4H-1,3-benzodioxin-6-yl)acetic acid (PubChem CID 83885706) has the molecular formula C10H9FO4 and a molecular weight of 212.18 g/mol. Its IUPAC name is 2-(8-fluoro-4H-1,3-benzodioxin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(8-fluoro-4H-1,3-benzodioxin-6-yl)acetic acid
PubChem CID83885706
Molecular FormulaC10H9FO4
Molecular Weight212.18 g/mol
Exact Mass212.05
IUPAC Name2-(8-fluoro-4H-1,3-benzodioxin-6-yl)acetic acid
SMILESO=C(O)Cc1cc(F)c2c(c1)COCO2
InChIInChI=1S/C10H9FO4/c11-8-2-6(3-9(12)13)1-7-4-14-5-15-10(7)8/h1-2H,3-5H2,(H,12,13)
InChIKeyDPJXGQDZGCYCHN-UHFFFAOYSA-N
XLogP1.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(8-fluoro-4H-1,3-benzodioxin-6-yl)butanoic acid
CID 83898817
2-(8-fluoro-4H-1,3-benzodioxin-6-yl)ethanamine
CID 83880036
1-(8-bromo-4H-1,3-benzodioxin-6-yl)propan-2-one
CID 83903509
1-(8-methoxy-4H-1,3-benzodioxin-6-yl)propan-2-one
CID 83890476
(6-fluoro-4H-1,3-benzodioxin-8-yl)methanol
CID 2779909
6-bromo-4H-1,3-benzodioxine-8-carboxylic acid
CID 83901717
(E)-N-benzyl-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)prop-2-enamide
CID 17414769
(4-benzylpiperazin-1-yl)-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone
CID 139562777
2-[1-(6-chloro-4H-1,3-benzodioxin-8-yl)cyclopropyl]acetic acid
CID 117425149
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2,2-dimethylpropanamide
CID 47180608
N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropanecarboxamide
CID 2811098
methyl 2-amino-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)propanoate
CID 170883507

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-4H-1,3-benzodioxin-6-yl)acetic acid?
The IUPAC name of 2-(8-fluoro-4H-1,3-benzodioxin-6-yl)acetic acid (CID 83885706) is 2-(8-fluoro-4H-1,3-benzodioxin-6-yl)acetic acid.
What is the SMILES notation for 2-(8-fluoro-4H-1,3-benzodioxin-6-yl)acetic acid?
The canonical SMILES for 2-(8-fluoro-4H-1,3-benzodioxin-6-yl)acetic acid is O=C(O)Cc1cc(F)c2c(c1)COCO2.
What is the InChIKey of 2-(8-fluoro-4H-1,3-benzodioxin-6-yl)acetic acid?
The InChIKey is DPJXGQDZGCYCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO4/c11-8-2-6(3-9(12)13)1-7-4-14-5-15-10(7)8/h1-2H,3-5H2,(H,12,13).
What are the key properties of 2-(8-fluoro-4H-1,3-benzodioxin-6-yl)acetic acid?
2-(8-fluoro-4H-1,3-benzodioxin-6-yl)acetic acid has a molecular weight of 212.18 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-4H-1,3-benzodioxin-6-yl)acetic acid is sourced from PubChem (CID 83885706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).