[3-(difluoromethoxy)azetidin-1-yl]-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclopropyl]methanone

C12H19F2NO3 — CID 154779114

IUPAC[3-(difluoromethoxy)azetidin-1-yl]-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclopropyl]methanone
SMILESCC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CC(OC(F)F)C1
InChIInChI=1S/C12H19F2NO3/c1-12(2,3)18-9-4-8(9)10(16)15-5-7(6-15)17-11(13)14/h7-9,11H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyMMAQYLQHBKPZTB-RKDXNWHRSA-N
MW263.28 g/mol
LogP1.64
Rot. Bonds4

About [3-(difluoromethoxy)azetidin-1-yl]-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclopropyl]methanone

[3-(difluoromethoxy)azetidin-1-yl]-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclopropyl]methanone (PubChem CID 154779114) has the molecular formula C12H19F2NO3 and a molecular weight of 263.28 g/mol. Its IUPAC name is [3-(difluoromethoxy)azetidin-1-yl]-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclopropyl]methanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)azetidin-1-yl]-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclopropyl]methanone
PubChem CID154779114
Molecular FormulaC12H19F2NO3
Molecular Weight263.28 g/mol
Exact Mass263.13
IUPAC Name[3-(difluoromethoxy)azetidin-1-yl]-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclopropyl]methanone
SMILESCC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CC(OC(F)F)C1
InChIInChI=1S/C12H19F2NO3/c1-12(2,3)18-9-4-8(9)10(16)15-5-7(6-15)17-11(13)14/h7-9,11H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyMMAQYLQHBKPZTB-RKDXNWHRSA-N
XLogP1.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)azetidin-1-yl]-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclopropyl]methanone?
The IUPAC name of [3-(difluoromethoxy)azetidin-1-yl]-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclopropyl]methanone (CID 154779114) is [3-(difluoromethoxy)azetidin-1-yl]-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclopropyl]methanone.
What is the SMILES notation for [3-(difluoromethoxy)azetidin-1-yl]-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclopropyl]methanone?
The canonical SMILES for [3-(difluoromethoxy)azetidin-1-yl]-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclopropyl]methanone is CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CC(OC(F)F)C1.
What is the InChIKey of [3-(difluoromethoxy)azetidin-1-yl]-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclopropyl]methanone?
The InChIKey is MMAQYLQHBKPZTB-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H19F2NO3/c1-12(2,3)18-9-4-8(9)10(16)15-5-7(6-15)17-11(13)14/h7-9,11H,4-6H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of [3-(difluoromethoxy)azetidin-1-yl]-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclopropyl]methanone?
[3-(difluoromethoxy)azetidin-1-yl]-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclopropyl]methanone has a molecular weight of 263.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)azetidin-1-yl]-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclopropyl]methanone is sourced from PubChem (CID 154779114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).