2-fluoro-N-(oxan-3-ylmethyl)ethanamine

C8H16FNO — CID 80695317

IUPAC2-fluoro-N-(oxan-3-ylmethyl)ethanamine
SMILESFCCNCC1CCCOC1
InChIInChI=1S/C8H16FNO/c9-3-4-10-6-8-2-1-5-11-7-8/h8,10H,1-7H2
InChIKeyURCRJSJYCXQJHV-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.97
Rot. Bonds4

About 2-fluoro-N-(oxan-3-ylmethyl)ethanamine

2-fluoro-N-(oxan-3-ylmethyl)ethanamine (PubChem CID 80695317) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 2-fluoro-N-(oxan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-fluoro-N-(oxan-3-ylmethyl)ethanamine
PubChem CID80695317
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name2-fluoro-N-(oxan-3-ylmethyl)ethanamine
SMILESFCCNCC1CCCOC1
InChIInChI=1S/C8H16FNO/c9-3-4-10-6-8-2-1-5-11-7-8/h8,10H,1-7H2
InChIKeyURCRJSJYCXQJHV-UHFFFAOYSA-N
XLogP0.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(oxan-3-ylmethyl)ethanamine?
The IUPAC name of 2-fluoro-N-(oxan-3-ylmethyl)ethanamine (CID 80695317) is 2-fluoro-N-(oxan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-fluoro-N-(oxan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-fluoro-N-(oxan-3-ylmethyl)ethanamine is FCCNCC1CCCOC1.
What is the InChIKey of 2-fluoro-N-(oxan-3-ylmethyl)ethanamine?
The InChIKey is URCRJSJYCXQJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c9-3-4-10-6-8-2-1-5-11-7-8/h8,10H,1-7H2.
What are the key properties of 2-fluoro-N-(oxan-3-ylmethyl)ethanamine?
2-fluoro-N-(oxan-3-ylmethyl)ethanamine has a molecular weight of 161.22 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(oxan-3-ylmethyl)ethanamine is sourced from PubChem (CID 80695317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).