2,2,2-trifluoroethanamine chloride

C2H4ClF3N- — CID 43822561

IUPAC2,2,2-trifluoroethanamine chloride
SMILESNCC(F)(F)F.[Cl-]
InChIInChI=1S/C2H4F3N.ClH/c3-2(4,5)1-6;/h1,6H2;1H/p-1
InChIKeyZTUJDPKOHPKRMO-UHFFFAOYSA-M
MW134.51 g/mol
LogP-2.49
Rot. Bonds

About 2,2,2-trifluoroethanamine chloride

2,2,2-trifluoroethanamine chloride (PubChem CID 43822561) has the molecular formula C2H4ClF3N- and a molecular weight of 134.51 g/mol. Its IUPAC name is 2,2,2-trifluoroethanamine chloride.

Molecular Properties

Compound Name2,2,2-trifluoroethanamine chloride
PubChem CID43822561
Molecular FormulaC2H4ClF3N-
Molecular Weight134.51 g/mol
Exact Mass134.00
IUPAC Name2,2,2-trifluoroethanamine chloride
SMILESNCC(F)(F)F.[Cl-]
InChIInChI=1S/C2H4F3N.ClH/c3-2(4,5)1-6;/h1,6H2;1H/p-1
InChIKeyZTUJDPKOHPKRMO-UHFFFAOYSA-M
XLogP-2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.51
LogP ≤ 5-2.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethanamine chloride?
The IUPAC name of 2,2,2-trifluoroethanamine chloride (CID 43822561) is 2,2,2-trifluoroethanamine chloride.
What is the SMILES notation for 2,2,2-trifluoroethanamine chloride?
The canonical SMILES for 2,2,2-trifluoroethanamine chloride is NCC(F)(F)F.[Cl-].
What is the InChIKey of 2,2,2-trifluoroethanamine chloride?
The InChIKey is ZTUJDPKOHPKRMO-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4F3N.ClH/c3-2(4,5)1-6;/h1,6H2;1H/p-1.
What are the key properties of 2,2,2-trifluoroethanamine chloride?
2,2,2-trifluoroethanamine chloride has a molecular weight of 134.51 g/mol, XLogP of -2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethanamine chloride is sourced from PubChem (CID 43822561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).