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

C8H13F3N2 — CID 116679545

IUPAC2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)=C1CNC1
InChIInChI=1S/C8H13F3N2/c1-6(7-3-12-4-7)2-13-5-8(9,10)11/h12-13H,2-5H2,1H3
InChIKeyVLZRLPXPBAUSHH-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.06
Rot. Bonds3

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

2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 116679545) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID116679545
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)=C1CNC1
InChIInChI=1S/C8H13F3N2/c1-6(7-3-12-4-7)2-13-5-8(9,10)11/h12-13H,2-5H2,1H3
InChIKeyVLZRLPXPBAUSHH-UHFFFAOYSA-N
XLogP1.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.06
H-Bond Donors ≤ 52
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-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 116679545) is 2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is VLZRLPXPBAUSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-6(7-3-12-4-7)2-13-5-8(9,10)11/h12-13H,2-5H2,1H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 194.20 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 116679545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).