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

C12H23FN2O — CID 177158870

IUPAC(2S)-2-[(1R)-1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCO[C@H]([C@@H](C)N2CC(F)C2)C1
InChIInChI=1S/C12H23FN2O/c1-9(2)14-4-5-16-12(8-14)10(3)15-6-11(13)7-15/h9-12H,4-8H2,1-3H3/t10-,12+/m1/s1
InChIKeyQNESOFJHTMNDCG-PWSUYJOCSA-N
MW230.33 g/mol
LogP1.14
Rot. Bonds3

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

(2S)-2-[(1R)-1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholine (PubChem CID 177158870) has the molecular formula C12H23FN2O and a molecular weight of 230.33 g/mol. Its IUPAC name is (2S)-2-[(1R)-1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name(2S)-2-[(1R)-1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholine
PubChem CID177158870
Molecular FormulaC12H23FN2O
Molecular Weight230.33 g/mol
Exact Mass230.18
IUPAC Name(2S)-2-[(1R)-1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCO[C@H]([C@@H](C)N2CC(F)C2)C1
InChIInChI=1S/C12H23FN2O/c1-9(2)14-4-5-16-12(8-14)10(3)15-6-11(13)7-15/h9-12H,4-8H2,1-3H3/t10-,12+/m1/s1
InChIKeyQNESOFJHTMNDCG-PWSUYJOCSA-N
XLogP1.14
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.14
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 (2S)-2-[(1R)-1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholine?
The IUPAC name of (2S)-2-[(1R)-1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholine (CID 177158870) is (2S)-2-[(1R)-1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for (2S)-2-[(1R)-1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholine?
The canonical SMILES for (2S)-2-[(1R)-1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholine is CC(C)N1CCO[C@H]([C@@H](C)N2CC(F)C2)C1.
What is the InChIKey of (2S)-2-[(1R)-1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholine?
The InChIKey is QNESOFJHTMNDCG-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H23FN2O/c1-9(2)14-4-5-16-12(8-14)10(3)15-6-11(13)7-15/h9-12H,4-8H2,1-3H3/t10-,12+/m1/s1.
What are the key properties of (2S)-2-[(1R)-1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholine?
(2S)-2-[(1R)-1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholine has a molecular weight of 230.33 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R)-1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 177158870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).