2-[4-(2-fluoroethyl)-1,4-oxazepan-7-yl]-N-methylethanamine

C10H21FN2O — CID 167166849

IUPAC2-[4-(2-fluoroethyl)-1,4-oxazepan-7-yl]-N-methylethanamine
SMILESCNCCC1CCN(CCF)CCO1
InChIInChI=1S/C10H21FN2O/c1-12-5-2-10-3-6-13(7-4-11)8-9-14-10/h10,12H,2-9H2,1H3
InChIKeyOJZRYQGJLBQZMW-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.66
Rot. Bonds5

About 2-[4-(2-fluoroethyl)-1,4-oxazepan-7-yl]-N-methylethanamine

2-[4-(2-fluoroethyl)-1,4-oxazepan-7-yl]-N-methylethanamine (PubChem CID 167166849) has the molecular formula C10H21FN2O and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-[4-(2-fluoroethyl)-1,4-oxazepan-7-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(2-fluoroethyl)-1,4-oxazepan-7-yl]-N-methylethanamine
PubChem CID167166849
Molecular FormulaC10H21FN2O
Molecular Weight204.29 g/mol
Exact Mass204.16
IUPAC Name2-[4-(2-fluoroethyl)-1,4-oxazepan-7-yl]-N-methylethanamine
SMILESCNCCC1CCN(CCF)CCO1
InChIInChI=1S/C10H21FN2O/c1-12-5-2-10-3-6-13(7-4-11)8-9-14-10/h10,12H,2-9H2,1H3
InChIKeyOJZRYQGJLBQZMW-UHFFFAOYSA-N
XLogP0.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoroethyl)-1,4-oxazepan-7-yl]-N-methylethanamine?
The IUPAC name of 2-[4-(2-fluoroethyl)-1,4-oxazepan-7-yl]-N-methylethanamine (CID 167166849) is 2-[4-(2-fluoroethyl)-1,4-oxazepan-7-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(2-fluoroethyl)-1,4-oxazepan-7-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-(2-fluoroethyl)-1,4-oxazepan-7-yl]-N-methylethanamine is CNCCC1CCN(CCF)CCO1.
What is the InChIKey of 2-[4-(2-fluoroethyl)-1,4-oxazepan-7-yl]-N-methylethanamine?
The InChIKey is OJZRYQGJLBQZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O/c1-12-5-2-10-3-6-13(7-4-11)8-9-14-10/h10,12H,2-9H2,1H3.
What are the key properties of 2-[4-(2-fluoroethyl)-1,4-oxazepan-7-yl]-N-methylethanamine?
2-[4-(2-fluoroethyl)-1,4-oxazepan-7-yl]-N-methylethanamine has a molecular weight of 204.29 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoroethyl)-1,4-oxazepan-7-yl]-N-methylethanamine is sourced from PubChem (CID 167166849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).