[(2R)-2-chloro-1,1,2-trifluoroethyl]-diethylazanium

C6H12ClF3N+ — CID 7152858

IUPAC[(2R)-2-chloro-1,1,2-trifluoroethyl]-diethylazanium
SMILESCC[NH+](CC)C(F)(F)[C@H](F)Cl
InChIInChI=1S/C6H11ClF3N/c1-3-11(4-2)6(9,10)5(7)8/h5H,3-4H2,1-2H3/p+1/t5-/m0/s1
InChIKeyBDZHKUAKSMWSAJ-YFKPBYRVSA-O
MW190.62 g/mol
LogP1.04
Rot. Bonds4

About [(2R)-2-chloro-1,1,2-trifluoroethyl]-diethylazanium

[(2R)-2-chloro-1,1,2-trifluoroethyl]-diethylazanium (PubChem CID 7152858) has the molecular formula C6H12ClF3N+ and a molecular weight of 190.62 g/mol. Its IUPAC name is [(2R)-2-chloro-1,1,2-trifluoroethyl]-diethylazanium.

Molecular Properties

Compound Name[(2R)-2-chloro-1,1,2-trifluoroethyl]-diethylazanium
PubChem CID7152858
Molecular FormulaC6H12ClF3N+
Molecular Weight190.62 g/mol
Exact Mass190.06
IUPAC Name[(2R)-2-chloro-1,1,2-trifluoroethyl]-diethylazanium
SMILESCC[NH+](CC)C(F)(F)[C@H](F)Cl
InChIInChI=1S/C6H11ClF3N/c1-3-11(4-2)6(9,10)5(7)8/h5H,3-4H2,1-2H3/p+1/t5-/m0/s1
InChIKeyBDZHKUAKSMWSAJ-YFKPBYRVSA-O
XLogP1.04
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.62
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze [(2R)-2-chloro-1,1,2-trifluoroethyl]-diethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-chloro-1,1,2-trifluoroethyl]-diethylazanium?
The IUPAC name of [(2R)-2-chloro-1,1,2-trifluoroethyl]-diethylazanium (CID 7152858) is [(2R)-2-chloro-1,1,2-trifluoroethyl]-diethylazanium.
What is the SMILES notation for [(2R)-2-chloro-1,1,2-trifluoroethyl]-diethylazanium?
The canonical SMILES for [(2R)-2-chloro-1,1,2-trifluoroethyl]-diethylazanium is CC[NH+](CC)C(F)(F)[C@H](F)Cl.
What is the InChIKey of [(2R)-2-chloro-1,1,2-trifluoroethyl]-diethylazanium?
The InChIKey is BDZHKUAKSMWSAJ-YFKPBYRVSA-O. The full InChI is InChI=1S/C6H11ClF3N/c1-3-11(4-2)6(9,10)5(7)8/h5H,3-4H2,1-2H3/p+1/t5-/m0/s1.
What are the key properties of [(2R)-2-chloro-1,1,2-trifluoroethyl]-diethylazanium?
[(2R)-2-chloro-1,1,2-trifluoroethyl]-diethylazanium has a molecular weight of 190.62 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-chloro-1,1,2-trifluoroethyl]-diethylazanium is sourced from PubChem (CID 7152858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).