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

C10H14F2N2O — CID 177162178

IUPAC(3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCN(C(=O)N2CC(F)(F)C2)CC1
InChIInChI=1S/C10H14F2N2O/c1-8-2-4-13(5-3-8)9(15)14-6-10(11,12)7-14/h2H,3-7H2,1H3
InChIKeyVDIWGFCPNQLVBD-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.71
Rot. Bonds

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

(3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 177162178) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID177162178
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name(3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCN(C(=O)N2CC(F)(F)C2)CC1
InChIInChI=1S/C10H14F2N2O/c1-8-2-4-13(5-3-8)9(15)14-6-10(11,12)7-14/h2H,3-7H2,1H3
InChIKeyVDIWGFCPNQLVBD-UHFFFAOYSA-N
XLogP1.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.71
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?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 177162178) is (3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is 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?
The InChIKey is VDIWGFCPNQLVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-8-2-4-13(5-3-8)9(15)14-6-10(11,12)7-14/h2H,3-7H2,1H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 216.23 g/mol, XLogP of 1.71, 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 is sourced from PubChem (CID 177162178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).