azetidin-3-yl-(3,3-difluoropyrrolidin-1-yl)methanone

C8H12F2N2O — CID 116991685

IUPACazetidin-3-yl-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESO=C(C1CNC1)N1CCC(F)(F)C1
InChIInChI=1S/C8H12F2N2O/c9-8(10)1-2-12(5-8)7(13)6-3-11-4-6/h6,11H,1-5H2
InChIKeyKEWBKPDQPLRBEK-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.07
Rot. Bonds1

About azetidin-3-yl-(3,3-difluoropyrrolidin-1-yl)methanone

azetidin-3-yl-(3,3-difluoropyrrolidin-1-yl)methanone (PubChem CID 116991685) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is azetidin-3-yl-(3,3-difluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Nameazetidin-3-yl-(3,3-difluoropyrrolidin-1-yl)methanone
PubChem CID116991685
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Nameazetidin-3-yl-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESO=C(C1CNC1)N1CCC(F)(F)C1
InChIInChI=1S/C8H12F2N2O/c9-8(10)1-2-12(5-8)7(13)6-3-11-4-6/h6,11H,1-5H2
InChIKeyKEWBKPDQPLRBEK-UHFFFAOYSA-N
XLogP0.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(3,3-difluoropyrrolidin-1-yl)methanone?
The IUPAC name of azetidin-3-yl-(3,3-difluoropyrrolidin-1-yl)methanone (CID 116991685) is azetidin-3-yl-(3,3-difluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for azetidin-3-yl-(3,3-difluoropyrrolidin-1-yl)methanone?
The canonical SMILES for azetidin-3-yl-(3,3-difluoropyrrolidin-1-yl)methanone is O=C(C1CNC1)N1CCC(F)(F)C1.
What is the InChIKey of azetidin-3-yl-(3,3-difluoropyrrolidin-1-yl)methanone?
The InChIKey is KEWBKPDQPLRBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c9-8(10)1-2-12(5-8)7(13)6-3-11-4-6/h6,11H,1-5H2.
What are the key properties of azetidin-3-yl-(3,3-difluoropyrrolidin-1-yl)methanone?
azetidin-3-yl-(3,3-difluoropyrrolidin-1-yl)methanone has a molecular weight of 190.19 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(3,3-difluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 116991685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).