2-(4-fluorooxan-4-yl)-N-methylethanamine

C8H16FNO — CID 84731498

IUPAC2-(4-fluorooxan-4-yl)-N-methylethanamine
SMILESCNCCC1(F)CCOCC1
InChIInChI=1S/C8H16FNO/c1-10-5-2-8(9)3-6-11-7-4-8/h10H,2-7H2,1H3
InChIKeyYYZMZVCLDXNZMV-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.11
Rot. Bonds3

About 2-(4-fluorooxan-4-yl)-N-methylethanamine

2-(4-fluorooxan-4-yl)-N-methylethanamine (PubChem CID 84731498) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 2-(4-fluorooxan-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-fluorooxan-4-yl)-N-methylethanamine
PubChem CID84731498
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name2-(4-fluorooxan-4-yl)-N-methylethanamine
SMILESCNCCC1(F)CCOCC1
InChIInChI=1S/C8H16FNO/c1-10-5-2-8(9)3-6-11-7-4-8/h10H,2-7H2,1H3
InChIKeyYYZMZVCLDXNZMV-UHFFFAOYSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorooxan-4-yl)-N-methylethanamine?
The IUPAC name of 2-(4-fluorooxan-4-yl)-N-methylethanamine (CID 84731498) is 2-(4-fluorooxan-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-fluorooxan-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-fluorooxan-4-yl)-N-methylethanamine is CNCCC1(F)CCOCC1.
What is the InChIKey of 2-(4-fluorooxan-4-yl)-N-methylethanamine?
The InChIKey is YYZMZVCLDXNZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-10-5-2-8(9)3-6-11-7-4-8/h10H,2-7H2,1H3.
What are the key properties of 2-(4-fluorooxan-4-yl)-N-methylethanamine?
2-(4-fluorooxan-4-yl)-N-methylethanamine has a molecular weight of 161.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorooxan-4-yl)-N-methylethanamine is sourced from PubChem (CID 84731498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).