[(3R)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine

C9H10FNO2 — CID 54112466

IUPAC[(3R)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
SMILESNC[C@@H]1COc2ccc(F)cc2O1
InChIInChI=1S/C9H10FNO2/c10-6-1-2-8-9(3-6)13-7(4-11)5-12-8/h1-3,7H,4-5,11H2/t7-/m1/s1
InChIKeyNIBDDQBLWLAUSX-SSDOTTSWSA-N
MW183.18 g/mol
LogP0.92
Rot. Bonds1

About [(3R)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine

[(3R)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine (PubChem CID 54112466) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is [(3R)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
PubChem CID54112466
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name[(3R)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
SMILESNC[C@@H]1COc2ccc(F)cc2O1
InChIInChI=1S/C9H10FNO2/c10-6-1-2-8-9(3-6)13-7(4-11)5-12-8/h1-3,7H,4-5,11H2/t7-/m1/s1
InChIKeyNIBDDQBLWLAUSX-SSDOTTSWSA-N
XLogP0.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 54112467
[(3S)-6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine;sulfane
CID 159919789
3-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-6-ol;hydrochloride
CID 18923890
2,3-dihydro-1,4-benzodioxin-3-ylmethanamine
CID 15053
(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
CID 82527392
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
ethane;6-fluoro-3-methyl-2,3-dihydro-1,4-benzodioxine
CID 144624453
[(3S)-5-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 59004955
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 55263545
[(3S)-3-(aminomethyl)-6-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol
CID 67855456
methyl 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)acetate
CID 175222678
bis[2-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone;hydrobromide
CID 67035730

Frequently Asked Questions

What is the IUPAC name of [(3R)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine?
The IUPAC name of [(3R)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine (CID 54112466) is [(3R)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine.
What is the SMILES notation for [(3R)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine?
The canonical SMILES for [(3R)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine is NC[C@@H]1COc2ccc(F)cc2O1.
What is the InChIKey of [(3R)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine?
The InChIKey is NIBDDQBLWLAUSX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-6-1-2-8-9(3-6)13-7(4-11)5-12-8/h1-3,7H,4-5,11H2/t7-/m1/s1.
What are the key properties of [(3R)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine?
[(3R)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine has a molecular weight of 183.18 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine is sourced from PubChem (CID 54112466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).