2-fluoro-2-(oxolan-3-yl)ethanamine

C6H12FNO — CID 112562685

IUPAC2-fluoro-2-(oxolan-3-yl)ethanamine
SMILESNCC(F)C1CCOC1
InChIInChI=1S/C6H12FNO/c7-6(3-8)5-1-2-9-4-5/h5-6H,1-4,8H2
InChIKeyAITAJQWNJLAGSF-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.32
Rot. Bonds2

About 2-fluoro-2-(oxolan-3-yl)ethanamine

2-fluoro-2-(oxolan-3-yl)ethanamine (PubChem CID 112562685) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 2-fluoro-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-fluoro-2-(oxolan-3-yl)ethanamine
PubChem CID112562685
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name2-fluoro-2-(oxolan-3-yl)ethanamine
SMILESNCC(F)C1CCOC1
InChIInChI=1S/C6H12FNO/c7-6(3-8)5-1-2-9-4-5/h5-6H,1-4,8H2
InChIKeyAITAJQWNJLAGSF-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-fluoro-2-(oxolan-3-yl)ethanamine (CID 112562685) is 2-fluoro-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-fluoro-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-fluoro-2-(oxolan-3-yl)ethanamine is NCC(F)C1CCOC1.
What is the InChIKey of 2-fluoro-2-(oxolan-3-yl)ethanamine?
The InChIKey is AITAJQWNJLAGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c7-6(3-8)5-1-2-9-4-5/h5-6H,1-4,8H2.
What are the key properties of 2-fluoro-2-(oxolan-3-yl)ethanamine?
2-fluoro-2-(oxolan-3-yl)ethanamine has a molecular weight of 133.17 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 112562685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).