5-(2-aminoethyl)-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-ol

C10H12FNO3 — CID 117303715

IUPAC5-(2-aminoethyl)-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-ol
SMILESNCCc1c(F)c(O)cc2c1OCCO2
InChIInChI=1S/C10H12FNO3/c11-9-6(1-2-12)10-8(5-7(9)13)14-3-4-15-10/h5,13H,1-4,12H2
InChIKeyGENUPCKNGPLCMN-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.80
Rot. Bonds2

About 5-(2-aminoethyl)-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-ol

5-(2-aminoethyl)-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-ol (PubChem CID 117303715) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 5-(2-aminoethyl)-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-ol.

Molecular Properties

Compound Name5-(2-aminoethyl)-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-ol
PubChem CID117303715
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name5-(2-aminoethyl)-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-ol
SMILESNCCc1c(F)c(O)cc2c1OCCO2
InChIInChI=1S/C10H12FNO3/c11-9-6(1-2-12)10-8(5-7(9)13)14-3-4-15-10/h5,13H,1-4,12H2
InChIKeyGENUPCKNGPLCMN-UHFFFAOYSA-N
XLogP0.80
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117329952
5-(4-aminobutyl)-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117397732
6-fluoro-7-hydroxy-2,3-dihydro-1,4-benzodioxine-5-carbonitrile
CID 117284926
6-fluoro-5-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117385518
3-(5-fluoro-6-hydroxy-1,3-benzodioxol-4-yl)propanal
CID 117302560
6-fluoro-7-(hydroxymethyl)-1,3-benzodioxol-5-ol
CID 117280329
2-(7-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 84702910
3-(8-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)propan-1-amine
CID 117403455
3-(7-fluoro-6-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)propanoic acid
CID 84703227
6-ethyl-2,3-dihydro-1,4-benzodioxine-5,7-diol
CID 90370994
2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 117432711
3-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117354974

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-ol?
The IUPAC name of 5-(2-aminoethyl)-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-ol (CID 117303715) is 5-(2-aminoethyl)-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-ol.
What is the SMILES notation for 5-(2-aminoethyl)-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-ol?
The canonical SMILES for 5-(2-aminoethyl)-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-ol is NCCc1c(F)c(O)cc2c1OCCO2.
What is the InChIKey of 5-(2-aminoethyl)-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-ol?
The InChIKey is GENUPCKNGPLCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c11-9-6(1-2-12)10-8(5-7(9)13)14-3-4-15-10/h5,13H,1-4,12H2.
What are the key properties of 5-(2-aminoethyl)-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-ol?
5-(2-aminoethyl)-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-ol has a molecular weight of 213.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-ol is sourced from PubChem (CID 117303715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).