2,2,2-trifluoroethylazanium

C2H5F3N+ — CID 7058078

IUPAC2,2,2-trifluoroethylazanium
SMILES[NH3+]CC(F)(F)F
InChIInChI=1S/C2H4F3N/c3-2(4,5)1-6/h1,6H2/p+1
InChIKeyKIPSRYDSZQRPEA-UHFFFAOYSA-O
MW100.06 g/mol
LogP-0.21
Rot. Bonds

About 2,2,2-trifluoroethylazanium

2,2,2-trifluoroethylazanium (PubChem CID 7058078) has the molecular formula C2H5F3N+ and a molecular weight of 100.06 g/mol. Its IUPAC name is 2,2,2-trifluoroethylazanium.

Molecular Properties

Compound Name2,2,2-trifluoroethylazanium
PubChem CID7058078
Molecular FormulaC2H5F3N+
Molecular Weight100.06 g/mol
Exact Mass100.04
IUPAC Name2,2,2-trifluoroethylazanium
SMILES[NH3+]CC(F)(F)F
InChIInChI=1S/C2H4F3N/c3-2(4,5)1-6/h1,6H2/p+1
InChIKeyKIPSRYDSZQRPEA-UHFFFAOYSA-O
XLogP-0.21
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.06
LogP ≤ 5-0.21
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
2,2,2-Trifluoroethylazanium;chloride
CID 10931477
2,2,3,3-Tetrafluoropropan-1-amine hydrochloride
CID 21298755
2,2,3,3,3-Pentafluoropropylamine hydrochloride
CID 25210507
2,3,3,3-Tetrafluoropropan-1-amine
CID 23423629
Tetrafluoroethylamine
CID 84731060

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethylazanium?
The IUPAC name of 2,2,2-trifluoroethylazanium (CID 7058078) is 2,2,2-trifluoroethylazanium.
What is the SMILES notation for 2,2,2-trifluoroethylazanium?
The canonical SMILES for 2,2,2-trifluoroethylazanium is [NH3+]CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethylazanium?
The InChIKey is KIPSRYDSZQRPEA-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H4F3N/c3-2(4,5)1-6/h1,6H2/p+1.
What are the key properties of 2,2,2-trifluoroethylazanium?
2,2,2-trifluoroethylazanium has a molecular weight of 100.06 g/mol, XLogP of -0.21, 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 is sourced from PubChem (CID 7058078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).