1-(3-fluorooxolan-3-yl)ethanamine

C6H12FNO — CID 105427736

IUPAC1-(3-fluorooxolan-3-yl)ethanamine
SMILESCC(N)C1(F)CCOC1
InChIInChI=1S/C6H12FNO/c1-5(8)6(7)2-3-9-4-6/h5H,2-4,8H2,1H3
InChIKeyPZOYGLBFYCOROL-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.46
Rot. Bonds1

About 1-(3-fluorooxolan-3-yl)ethanamine

1-(3-fluorooxolan-3-yl)ethanamine (PubChem CID 105427736) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 1-(3-fluorooxolan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-fluorooxolan-3-yl)ethanamine
PubChem CID105427736
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name1-(3-fluorooxolan-3-yl)ethanamine
SMILESCC(N)C1(F)CCOC1
InChIInChI=1S/C6H12FNO/c1-5(8)6(7)2-3-9-4-6/h5H,2-4,8H2,1H3
InChIKeyPZOYGLBFYCOROL-UHFFFAOYSA-N
XLogP0.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 1-(3-fluorooxolan-3-yl)ethanamine?
The IUPAC name of 1-(3-fluorooxolan-3-yl)ethanamine (CID 105427736) is 1-(3-fluorooxolan-3-yl)ethanamine.
What is the SMILES notation for 1-(3-fluorooxolan-3-yl)ethanamine?
The canonical SMILES for 1-(3-fluorooxolan-3-yl)ethanamine is CC(N)C1(F)CCOC1.
What is the InChIKey of 1-(3-fluorooxolan-3-yl)ethanamine?
The InChIKey is PZOYGLBFYCOROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-5(8)6(7)2-3-9-4-6/h5H,2-4,8H2,1H3.
What are the key properties of 1-(3-fluorooxolan-3-yl)ethanamine?
1-(3-fluorooxolan-3-yl)ethanamine has a molecular weight of 133.17 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorooxolan-3-yl)ethanamine is sourced from PubChem (CID 105427736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).