2-(3-fluorooxolan-3-yl)ethanamine

C6H12FNO — CID 84731106

IUPAC2-(3-fluorooxolan-3-yl)ethanamine
SMILESNCCC1(F)CCOC1
InChIInChI=1S/C6H12FNO/c7-6(1-3-8)2-4-9-5-6/h1-5,8H2
InChIKeyYJZBIDRJVJAFKL-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.46
Rot. Bonds2

About 2-(3-fluorooxolan-3-yl)ethanamine

2-(3-fluorooxolan-3-yl)ethanamine (PubChem CID 84731106) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 2-(3-fluorooxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorooxolan-3-yl)ethanamine
PubChem CID84731106
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name2-(3-fluorooxolan-3-yl)ethanamine
SMILESNCCC1(F)CCOC1
InChIInChI=1S/C6H12FNO/c7-6(1-3-8)2-4-9-5-6/h1-5,8H2
InChIKeyYJZBIDRJVJAFKL-UHFFFAOYSA-N
XLogP0.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorooxolan-3-yl)ethanamine?
The IUPAC name of 2-(3-fluorooxolan-3-yl)ethanamine (CID 84731106) is 2-(3-fluorooxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-fluorooxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-fluorooxolan-3-yl)ethanamine is NCCC1(F)CCOC1.
What is the InChIKey of 2-(3-fluorooxolan-3-yl)ethanamine?
The InChIKey is YJZBIDRJVJAFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c7-6(1-3-8)2-4-9-5-6/h1-5,8H2.
What are the key properties of 2-(3-fluorooxolan-3-yl)ethanamine?
2-(3-fluorooxolan-3-yl)ethanamine has a molecular weight of 133.17 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorooxolan-3-yl)ethanamine is sourced from PubChem (CID 84731106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).