(3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane

C14H26F2N2O — CID 177162861

IUPAC(3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane
SMILESCC.CC.CC1=CCN(C(=O)N2CC(F)(F)C2)CC1
InChIInChI=1S/C10H14F2N2O.2C2H6/c1-8-2-4-13(5-3-8)9(15)14-6-10(11,12)7-14;2*1-2/h2H,3-7H2,1H3;2*1-2H3
InChIKeyVADRVTKTKGJVAZ-UHFFFAOYSA-N
MW276.37 g/mol
LogP3.76
Rot. Bonds

About (3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane

(3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane (PubChem CID 177162861) has the molecular formula C14H26F2N2O and a molecular weight of 276.37 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane
PubChem CID177162861
Molecular FormulaC14H26F2N2O
Molecular Weight276.37 g/mol
Exact Mass276.20
IUPAC Name(3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane
SMILESCC.CC.CC1=CCN(C(=O)N2CC(F)(F)C2)CC1
InChIInChI=1S/C10H14F2N2O.2C2H6/c1-8-2-4-13(5-3-8)9(15)14-6-10(11,12)7-14;2*1-2/h2H,3-7H2,1H3;2*1-2H3
InChIKeyVADRVTKTKGJVAZ-UHFFFAOYSA-N
XLogP3.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane (CID 177162861) is (3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane is CC.CC.CC1=CCN(C(=O)N2CC(F)(F)C2)CC1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane?
The InChIKey is VADRVTKTKGJVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O.2C2H6/c1-8-2-4-13(5-3-8)9(15)14-6-10(11,12)7-14;2*1-2/h2H,3-7H2,1H3;2*1-2H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane?
(3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane has a molecular weight of 276.37 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane is sourced from PubChem (CID 177162861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).