ethane;2-[1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine

C12H25FN2O — CID 177158594

IUPACethane;2-[1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine
SMILESCC.CC(C1CN(C)CCO1)N1CC(F)C1
InChIInChI=1S/C10H19FN2O.C2H6/c1-8(13-5-9(11)6-13)10-7-12(2)3-4-14-10;1-2/h8-10H,3-7H2,1-2H3;1-2H3
InChIKeyWPKWIQMPMZZCDL-UHFFFAOYSA-N
MW232.34 g/mol
LogP1.39
Rot. Bonds2

About ethane;2-[1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine

ethane;2-[1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine (PubChem CID 177158594) has the molecular formula C12H25FN2O and a molecular weight of 232.34 g/mol. Its IUPAC name is ethane;2-[1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine.

Molecular Properties

Compound Nameethane;2-[1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine
PubChem CID177158594
Molecular FormulaC12H25FN2O
Molecular Weight232.34 g/mol
Exact Mass232.20
IUPAC Nameethane;2-[1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine
SMILESCC.CC(C1CN(C)CCO1)N1CC(F)C1
InChIInChI=1S/C10H19FN2O.C2H6/c1-8(13-5-9(11)6-13)10-7-12(2)3-4-14-10;1-2/h8-10H,3-7H2,1-2H3;1-2H3
InChIKeyWPKWIQMPMZZCDL-UHFFFAOYSA-N
XLogP1.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine?
The IUPAC name of ethane;2-[1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine (CID 177158594) is ethane;2-[1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine.
What is the SMILES notation for ethane;2-[1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine?
The canonical SMILES for ethane;2-[1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine is CC.CC(C1CN(C)CCO1)N1CC(F)C1.
What is the InChIKey of ethane;2-[1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine?
The InChIKey is WPKWIQMPMZZCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O.C2H6/c1-8(13-5-9(11)6-13)10-7-12(2)3-4-14-10;1-2/h8-10H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;2-[1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine?
ethane;2-[1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine has a molecular weight of 232.34 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine is sourced from PubChem (CID 177158594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).