2-(azetidin-3-ylidene)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine

C11H19F3N2 — CID 116679796

IUPAC2-(azetidin-3-ylidene)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CN(CC(F)(F)F)C(C)C)=C1CNC1
InChIInChI=1S/C11H19F3N2/c1-8(2)16(7-11(12,13)14)6-9(3)10-4-15-5-10/h8,15H,4-7H2,1-3H3
InChIKeyCUIFFCCVPICFPY-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.18
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(azetidin-3-ylidene)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 116679796) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID116679796
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name2-(azetidin-3-ylidene)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CN(CC(F)(F)F)C(C)C)=C1CNC1
InChIInChI=1S/C11H19F3N2/c1-8(2)16(7-11(12,13)14)6-9(3)10-4-15-5-10/h8,15H,4-7H2,1-3H3
InChIKeyCUIFFCCVPICFPY-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.18
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-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(azetidin-3-ylidene)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 116679796) is 2-(azetidin-3-ylidene)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CN(CC(F)(F)F)C(C)C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is CUIFFCCVPICFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-8(2)16(7-11(12,13)14)6-9(3)10-4-15-5-10/h8,15H,4-7H2,1-3H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(azetidin-3-ylidene)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 236.28 g/mol, XLogP of 2.18, 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-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 116679796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).