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

C10H17F3N2 — CID 116679781

IUPAC2-(azetidin-3-ylidene)-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCN(CC(C)=C1CNC1)CC(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-3-15(7-10(11,12)13)6-8(2)9-4-14-5-9/h14H,3-7H2,1-2H3
InChIKeyGVUNBZDNVLTUFY-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.79
Rot. Bonds4

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

2-(azetidin-3-ylidene)-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 116679781) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID116679781
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name2-(azetidin-3-ylidene)-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCN(CC(C)=C1CNC1)CC(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-3-15(7-10(11,12)13)6-8(2)9-4-14-5-9/h14H,3-7H2,1-2H3
InChIKeyGVUNBZDNVLTUFY-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.79
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-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(azetidin-3-ylidene)-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 116679781) is 2-(azetidin-3-ylidene)-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine is CCN(CC(C)=C1CNC1)CC(F)(F)F.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is GVUNBZDNVLTUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-3-15(7-10(11,12)13)6-8(2)9-4-14-5-9/h14H,3-7H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(azetidin-3-ylidene)-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 222.25 g/mol, XLogP of 1.79, 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-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 116679781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).