[3-(difluoromethoxy)azetidin-1-yl]-[1-[(dimethylamino)methyl]cyclopropyl]methanone

C11H18F2N2O2 — CID 167764957

IUPAC[3-(difluoromethoxy)azetidin-1-yl]-[1-[(dimethylamino)methyl]cyclopropyl]methanone
SMILESCN(C)CC1(C(=O)N2CC(OC(F)F)C2)CC1
InChIInChI=1S/C11H18F2N2O2/c1-14(2)7-11(3-4-11)9(16)15-5-8(6-15)17-10(12)13/h8,10H,3-7H2,1-2H3
InChIKeyXWUNKFJAAOUBNW-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.78
Rot. Bonds5

About [3-(difluoromethoxy)azetidin-1-yl]-[1-[(dimethylamino)methyl]cyclopropyl]methanone

[3-(difluoromethoxy)azetidin-1-yl]-[1-[(dimethylamino)methyl]cyclopropyl]methanone (PubChem CID 167764957) has the molecular formula C11H18F2N2O2 and a molecular weight of 248.27 g/mol. Its IUPAC name is [3-(difluoromethoxy)azetidin-1-yl]-[1-[(dimethylamino)methyl]cyclopropyl]methanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)azetidin-1-yl]-[1-[(dimethylamino)methyl]cyclopropyl]methanone
PubChem CID167764957
Molecular FormulaC11H18F2N2O2
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name[3-(difluoromethoxy)azetidin-1-yl]-[1-[(dimethylamino)methyl]cyclopropyl]methanone
SMILESCN(C)CC1(C(=O)N2CC(OC(F)F)C2)CC1
InChIInChI=1S/C11H18F2N2O2/c1-14(2)7-11(3-4-11)9(16)15-5-8(6-15)17-10(12)13/h8,10H,3-7H2,1-2H3
InChIKeyXWUNKFJAAOUBNW-UHFFFAOYSA-N
XLogP0.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.78
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]-[1-[(dimethylamino)methyl]cyclopropyl]methanone?
The IUPAC name of [3-(difluoromethoxy)azetidin-1-yl]-[1-[(dimethylamino)methyl]cyclopropyl]methanone (CID 167764957) is [3-(difluoromethoxy)azetidin-1-yl]-[1-[(dimethylamino)methyl]cyclopropyl]methanone.
What is the SMILES notation for [3-(difluoromethoxy)azetidin-1-yl]-[1-[(dimethylamino)methyl]cyclopropyl]methanone?
The canonical SMILES for [3-(difluoromethoxy)azetidin-1-yl]-[1-[(dimethylamino)methyl]cyclopropyl]methanone is CN(C)CC1(C(=O)N2CC(OC(F)F)C2)CC1.
What is the InChIKey of [3-(difluoromethoxy)azetidin-1-yl]-[1-[(dimethylamino)methyl]cyclopropyl]methanone?
The InChIKey is XWUNKFJAAOUBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O2/c1-14(2)7-11(3-4-11)9(16)15-5-8(6-15)17-10(12)13/h8,10H,3-7H2,1-2H3.
What are the key properties of [3-(difluoromethoxy)azetidin-1-yl]-[1-[(dimethylamino)methyl]cyclopropyl]methanone?
[3-(difluoromethoxy)azetidin-1-yl]-[1-[(dimethylamino)methyl]cyclopropyl]methanone has a molecular weight of 248.27 g/mol, XLogP of 0.78, 5 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]-[1-[(dimethylamino)methyl]cyclopropyl]methanone is sourced from PubChem (CID 167764957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).