(2R)-2-[(1S)-1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine

C10H19FN2O — CID 177158527

IUPAC(2R)-2-[(1S)-1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine
SMILESC[C@@H]([C@H]1CN(C)CCO1)N1CC(F)C1
InChIInChI=1S/C10H19FN2O/c1-8(13-5-9(11)6-13)10-7-12(2)3-4-14-10/h8-10H,3-7H2,1-2H3/t8-,10+/m0/s1
InChIKeyIMXILBIWTZDJJS-WCBMZHEXSA-N
MW202.27 g/mol
LogP0.36
Rot. Bonds2

About (2R)-2-[(1S)-1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine

(2R)-2-[(1S)-1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine (PubChem CID 177158527) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is (2R)-2-[(1S)-1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine.

Molecular Properties

Compound Name(2R)-2-[(1S)-1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine
PubChem CID177158527
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Name(2R)-2-[(1S)-1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine
SMILESC[C@@H]([C@H]1CN(C)CCO1)N1CC(F)C1
InChIInChI=1S/C10H19FN2O/c1-8(13-5-9(11)6-13)10-7-12(2)3-4-14-10/h8-10H,3-7H2,1-2H3/t8-,10+/m0/s1
InChIKeyIMXILBIWTZDJJS-WCBMZHEXSA-N
XLogP0.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(1-fluoroethyl)-4-propan-2-ylmorpholine
CID 117804156
2-(1,1-Difluoroethyl)-4-propan-2-ylmorpholine
CID 118390753
(2R,6S)-2-(1,1-difluoroethyl)-6-methyl-4-propan-2-ylmorpholine
CID 118390757
(2R,6R)-2-(1,1-difluoroethyl)-6-methyl-4-propan-2-ylmorpholine
CID 118390772
(3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-yloxypiperidine
CID 121261808
4-Propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine
CID 146614610
(2R)-2-(fluoromethyl)-4-propan-2-ylmorpholine
CID 146880404
2-(2,2-Difluoroethyl)-4-propan-2-ylmorpholine
CID 153494051
(2R)-2-[(3-fluoroazetidin-1-yl)methyl]-4-propan-2-ylmorpholine
CID 156163856
2-[(3-Fluoroazetidin-1-yl)methyl]-4-propan-2-ylmorpholine
CID 156163857
(2R)-2-[(3-fluoroazetidin-1-yl)methyl]-4-methylmorpholine
CID 156166446
2-[(2S)-2-[(3-fluoroazetidin-1-yl)methyl]morpholin-4-yl]propane-1-thiol
CID 156172081

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine?
The IUPAC name of (2R)-2-[(1S)-1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine (CID 177158527) is (2R)-2-[(1S)-1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine.
What is the SMILES notation for (2R)-2-[(1S)-1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine?
The canonical SMILES for (2R)-2-[(1S)-1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine is C[C@@H]([C@H]1CN(C)CCO1)N1CC(F)C1.
What is the InChIKey of (2R)-2-[(1S)-1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine?
The InChIKey is IMXILBIWTZDJJS-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H19FN2O/c1-8(13-5-9(11)6-13)10-7-12(2)3-4-14-10/h8-10H,3-7H2,1-2H3/t8-,10+/m0/s1.
What are the key properties of (2R)-2-[(1S)-1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine?
(2R)-2-[(1S)-1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine has a molecular weight of 202.27 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine is sourced from PubChem (CID 177158527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).