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

C11H19F3N2 — CID 116679793

IUPAC2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CC(C)=C1CNC1)CC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-3-4-16(8-11(12,13)14)7-9(2)10-5-15-6-10/h15H,3-8H2,1-2H3
InChIKeyLIDMKMSROIMOPZ-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.18
Rot. Bonds5

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

2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 116679793) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID116679793
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CC(C)=C1CNC1)CC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-3-4-16(8-11(12,13)14)7-9(2)10-5-15-6-10/h15H,3-8H2,1-2H3
InChIKeyLIDMKMSROIMOPZ-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-propyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 116679793) is 2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(CC(C)=C1CNC1)CC(F)(F)F.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is LIDMKMSROIMOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-3-4-16(8-11(12,13)14)7-9(2)10-5-15-6-10/h15H,3-8H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 236.28 g/mol, XLogP of 2.18, 5 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-propyl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 116679793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).