(3-fluoroazetidin-1-yl)-[(2R)-4-propan-2-ylmorpholin-2-yl]methanone

C11H19FN2O2 — CID 177158657

IUPAC(3-fluoroazetidin-1-yl)-[(2R)-4-propan-2-ylmorpholin-2-yl]methanone
SMILESCC(C)N1CCO[C@@H](C(=O)N2CC(F)C2)C1
InChIInChI=1S/C11H19FN2O2/c1-8(2)13-3-4-16-10(7-13)11(15)14-5-9(12)6-14/h8-10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyLHBFNGHJLKQVJK-SNVBAGLBSA-N
MW230.28 g/mol
LogP0.28
Rot. Bonds2

About (3-fluoroazetidin-1-yl)-[(2R)-4-propan-2-ylmorpholin-2-yl]methanone

(3-fluoroazetidin-1-yl)-[(2R)-4-propan-2-ylmorpholin-2-yl]methanone (PubChem CID 177158657) has the molecular formula C11H19FN2O2 and a molecular weight of 230.28 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-[(2R)-4-propan-2-ylmorpholin-2-yl]methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-[(2R)-4-propan-2-ylmorpholin-2-yl]methanone
PubChem CID177158657
Molecular FormulaC11H19FN2O2
Molecular Weight230.28 g/mol
Exact Mass230.14
IUPAC Name(3-fluoroazetidin-1-yl)-[(2R)-4-propan-2-ylmorpholin-2-yl]methanone
SMILESCC(C)N1CCO[C@@H](C(=O)N2CC(F)C2)C1
InChIInChI=1S/C11H19FN2O2/c1-8(2)13-3-4-16-10(7-13)11(15)14-5-9(12)6-14/h8-10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyLHBFNGHJLKQVJK-SNVBAGLBSA-N
XLogP0.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

US10689398, Example 39
CID 129053798
US10689398, Example 38
CID 129053841
US10689398, Example 42
CID 129069912
US10689398, Example 43
CID 129069914
US10689398, Example 41
CID 129069915
US10689398, Example 40
CID 129069920
US10689398, Example 74
CID 129070044
US10689398, Example 75
CID 129070045
US10689398, Example 77
CID 129070046
US10689398, Example 76
CID 129070047
1-(3-Methylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 78873758
(2R)-N,N-dimethyl-4-(4,4,4-trifluorobutanoyl)morpholine-2-carboxamide
CID 129615888

Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-[(2R)-4-propan-2-ylmorpholin-2-yl]methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-[(2R)-4-propan-2-ylmorpholin-2-yl]methanone (CID 177158657) is (3-fluoroazetidin-1-yl)-[(2R)-4-propan-2-ylmorpholin-2-yl]methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-[(2R)-4-propan-2-ylmorpholin-2-yl]methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-[(2R)-4-propan-2-ylmorpholin-2-yl]methanone is CC(C)N1CCO[C@@H](C(=O)N2CC(F)C2)C1.
What is the InChIKey of (3-fluoroazetidin-1-yl)-[(2R)-4-propan-2-ylmorpholin-2-yl]methanone?
The InChIKey is LHBFNGHJLKQVJK-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19FN2O2/c1-8(2)13-3-4-16-10(7-13)11(15)14-5-9(12)6-14/h8-10H,3-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (3-fluoroazetidin-1-yl)-[(2R)-4-propan-2-ylmorpholin-2-yl]methanone?
(3-fluoroazetidin-1-yl)-[(2R)-4-propan-2-ylmorpholin-2-yl]methanone has a molecular weight of 230.28 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)-[(2R)-4-propan-2-ylmorpholin-2-yl]methanone is sourced from PubChem (CID 177158657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).