2,2,2-trifluoroethylazanium chloride

C2H5ClF3N — CID 10931477

IUPAC2,2,2-trifluoroethylazanium chloride
SMILES[Cl-].[NH3+]CC(F)(F)F
InChIInChI=1S/C2H4F3N.ClH/c3-2(4,5)1-6;/h1,6H2;1H
InChIKeyZTUJDPKOHPKRMO-UHFFFAOYSA-N
MW135.52 g/mol
LogP-3.21
Rot. Bonds

About 2,2,2-trifluoroethylazanium chloride

2,2,2-trifluoroethylazanium chloride (PubChem CID 10931477) has the molecular formula C2H5ClF3N and a molecular weight of 135.52 g/mol. Its IUPAC name is 2,2,2-trifluoroethylazanium chloride.

Molecular Properties

Compound Name2,2,2-trifluoroethylazanium chloride
PubChem CID10931477
Molecular FormulaC2H5ClF3N
Molecular Weight135.52 g/mol
Exact Mass135.01
IUPAC Name2,2,2-trifluoroethylazanium chloride
SMILES[Cl-].[NH3+]CC(F)(F)F
InChIInChI=1S/C2H4F3N.ClH/c3-2(4,5)1-6;/h1,6H2;1H
InChIKeyZTUJDPKOHPKRMO-UHFFFAOYSA-N
XLogP-3.21
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.52
LogP ≤ 5-3.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2,2,2-Trifluoroethylamine hydrochloride
CID 9772
Ethanamine, 2,2,2-trifluoro-
CID 9773
3,3,3-Trifluoropropylamine
CID 10001
2,2-Difluoroethanamine
CID 136274
2,2,3,3,3-Pentafluoropropylamine
CID 79002
2,2-Difluoroethan-1-amine hydrochloride
CID 18352163
3,3,3-Trifluoropropylamine hydrochloride
CID 25210505
2,2-Difluoropropylamine hydrochloride
CID 2758355
2-Chloro-2,2-difluoroethan-1-amine hydrochloride
CID 21298713
2,2,3,3-Tetrafluoropropan-1-amine hydrochloride
CID 21298755
2,2,3,3,3-Pentafluoropropylamine hydrochloride
CID 25210507
2-Bromo-2,2-difluoroethan-1-amine hydrochloride
CID 44717170

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethylazanium chloride?
The IUPAC name of 2,2,2-trifluoroethylazanium chloride (CID 10931477) is 2,2,2-trifluoroethylazanium chloride.
What is the SMILES notation for 2,2,2-trifluoroethylazanium chloride?
The canonical SMILES for 2,2,2-trifluoroethylazanium chloride is [Cl-].[NH3+]CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethylazanium chloride?
The InChIKey is ZTUJDPKOHPKRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F3N.ClH/c3-2(4,5)1-6;/h1,6H2;1H.
What are the key properties of 2,2,2-trifluoroethylazanium chloride?
2,2,2-trifluoroethylazanium chloride has a molecular weight of 135.52 g/mol, XLogP of -3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethylazanium chloride is sourced from PubChem (CID 10931477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).