2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-methylpropan-1-amine

C9H16F2N2 — CID 116680445

IUPAC2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-methylpropan-1-amine
SMILESCC(CN(C)CC(F)F)=C1CNC1
InChIInChI=1S/C9H16F2N2/c1-7(8-3-12-4-8)5-13(2)6-9(10)11/h9,12H,3-6H2,1-2H3
InChIKeyDDKHOLPPHZUAMY-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.10
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-methylpropan-1-amine

2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-methylpropan-1-amine (PubChem CID 116680445) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-methylpropan-1-amine
PubChem CID116680445
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-methylpropan-1-amine
SMILESCC(CN(C)CC(F)F)=C1CNC1
InChIInChI=1S/C9H16F2N2/c1-7(8-3-12-4-8)5-13(2)6-9(10)11/h9,12H,3-6H2,1-2H3
InChIKeyDDKHOLPPHZUAMY-UHFFFAOYSA-N
XLogP1.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-methylpropan-1-amine (CID 116680445) is 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-methylpropan-1-amine is CC(CN(C)CC(F)F)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-methylpropan-1-amine?
The InChIKey is DDKHOLPPHZUAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-7(8-3-12-4-8)5-13(2)6-9(10)11/h9,12H,3-6H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-methylpropan-1-amine?
2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-methylpropan-1-amine has a molecular weight of 190.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-methylpropan-1-amine is sourced from PubChem (CID 116680445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).