(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine

C10H12FNO2 — CID 130673960

IUPAC(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine
SMILESN[C@@H](CF)c1cccc2c1OCCO2
InChIInChI=1S/C10H12FNO2/c11-6-8(12)7-2-1-3-9-10(7)14-5-4-13-9/h1-3,8H,4-6,12H2/t8-/m0/s1
InChIKeyZDLQAWJNHFTZEP-QMMMGPOBSA-N
MW197.21 g/mol
LogP1.43
Rot. Bonds2

About (1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine

(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine (PubChem CID 130673960) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is (1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine
PubChem CID130673960
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine
SMILESN[C@@H](CF)c1cccc2c1OCCO2
InChIInChI=1S/C10H12FNO2/c11-6-8(12)7-2-1-3-9-10(7)14-5-4-13-9/h1-3,8H,4-6,12H2/t8-/m0/s1
InChIKeyZDLQAWJNHFTZEP-QMMMGPOBSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol;hydrochloride
CID 171213621
(1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-methylbut-3-en-1-amine
CID 131323428
(4S)-4-amino-4-(2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-ol;hydrochloride
CID 171233250
(1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine
CID 130684063
2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine
CID 102866888
ethyl (3R)-3-amino-3-(2,3-dihydro-1,4-benzodioxin-5-yl)propanoate
CID 171213622
2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine
CID 105119551
ethyl (3R)-3-amino-3-(2,3-dihydro-1,4-benzodioxin-5-yl)propanoate;hydrochloride
CID 171213623
2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid
CID 82395199
2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine
CID 105133211
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377270
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538966

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine?
The IUPAC name of (1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine (CID 130673960) is (1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine.
What is the SMILES notation for (1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine?
The canonical SMILES for (1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine is N[C@@H](CF)c1cccc2c1OCCO2.
What is the InChIKey of (1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine?
The InChIKey is ZDLQAWJNHFTZEP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12FNO2/c11-6-8(12)7-2-1-3-9-10(7)14-5-4-13-9/h1-3,8H,4-6,12H2/t8-/m0/s1.
What are the key properties of (1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine?
(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine has a molecular weight of 197.21 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine is sourced from PubChem (CID 130673960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).