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

C10H12FNO2 — CID 83880036

IUPAC2-(8-fluoro-4H-1,3-benzodioxin-6-yl)ethanamine
SMILESNCCc1cc(F)c2c(c1)COCO2
InChIInChI=1S/C10H12FNO2/c11-9-4-7(1-2-12)3-8-5-13-6-14-10(8)9/h3-4H,1-2,5-6,12H2
InChIKeyBFHDJPJNBBWBAS-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.19
Rot. Bonds2

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

2-(8-fluoro-4H-1,3-benzodioxin-6-yl)ethanamine (PubChem CID 83880036) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-(8-fluoro-4H-1,3-benzodioxin-6-yl)ethanamine.

Molecular Properties

Compound Name2-(8-fluoro-4H-1,3-benzodioxin-6-yl)ethanamine
PubChem CID83880036
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-(8-fluoro-4H-1,3-benzodioxin-6-yl)ethanamine
SMILESNCCc1cc(F)c2c(c1)COCO2
InChIInChI=1S/C10H12FNO2/c11-9-4-7(1-2-12)3-8-5-13-6-14-10(8)9/h3-4H,1-2,5-6,12H2
InChIKeyBFHDJPJNBBWBAS-UHFFFAOYSA-N
XLogP1.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.19
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)acetic acid
CID 83885706
2-(4H-1,3-benzodioxin-8-yl)ethanamine
CID 82409644
3-(6-bromo-4H-1,3-benzodioxin-8-yl)propan-1-amine
CID 83903751
2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanamine
CID 83880038
3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N,N-dimethylpropan-1-amine
CID 170865915
(6-fluoro-4H-1,3-benzodioxin-8-yl)methanol
CID 2779909
6,8-dimethyl-4H-1,3-benzodioxine
CID 89017859
[1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclobutyl]methanamine
CID 117346641
2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1,1,3,3-tetramethylguanidine
CID 111069970
2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 83880247
6-(chloromethyl)-4-fluoro-1,3-benzodioxole
CID 59129325

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-4H-1,3-benzodioxin-6-yl)ethanamine?
The IUPAC name of 2-(8-fluoro-4H-1,3-benzodioxin-6-yl)ethanamine (CID 83880036) is 2-(8-fluoro-4H-1,3-benzodioxin-6-yl)ethanamine.
What is the SMILES notation for 2-(8-fluoro-4H-1,3-benzodioxin-6-yl)ethanamine?
The canonical SMILES for 2-(8-fluoro-4H-1,3-benzodioxin-6-yl)ethanamine is NCCc1cc(F)c2c(c1)COCO2.
What is the InChIKey of 2-(8-fluoro-4H-1,3-benzodioxin-6-yl)ethanamine?
The InChIKey is BFHDJPJNBBWBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c11-9-4-7(1-2-12)3-8-5-13-6-14-10(8)9/h3-4H,1-2,5-6,12H2.
What are the key properties of 2-(8-fluoro-4H-1,3-benzodioxin-6-yl)ethanamine?
2-(8-fluoro-4H-1,3-benzodioxin-6-yl)ethanamine has a molecular weight of 197.21 g/mol, XLogP of 1.19, 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)ethanamine is sourced from PubChem (CID 83880036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).