hydron;2,2,2-trifluoroethanamine;chloride

C2H5ClF3N — CID 74764779

IUPAChydron;2,2,2-trifluoroethanamine;chloride
SMILESNCC(F)(F)F.[Cl-].[H+]
InChIInChI=1S/C2H4F3N.ClH/c3-2(4,5)1-6;/h1,6H2;1H
InChIKeyZTUJDPKOHPKRMO-UHFFFAOYSA-N
MW135.52 g/mol
LogP-2.38
Rot. Bonds

About hydron;2,2,2-trifluoroethanamine;chloride

hydron;2,2,2-trifluoroethanamine;chloride (PubChem CID 74764779) has the molecular formula C2H5ClF3N and a molecular weight of 135.52 g/mol. Its IUPAC name is hydron;2,2,2-trifluoroethanamine;chloride.

Molecular Properties

Compound Namehydron;2,2,2-trifluoroethanamine;chloride
PubChem CID74764779
Molecular FormulaC2H5ClF3N
Molecular Weight135.52 g/mol
Exact Mass135.01
IUPAC Namehydron;2,2,2-trifluoroethanamine;chloride
SMILESNCC(F)(F)F.[Cl-].[H+]
InChIInChI=1S/C2H4F3N.ClH/c3-2(4,5)1-6;/h1,6H2;1H
InChIKeyZTUJDPKOHPKRMO-UHFFFAOYSA-N
XLogP-2.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.52
LogP ≤ 5-2.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of hydron;2,2,2-trifluoroethanamine;chloride?
The IUPAC name of hydron;2,2,2-trifluoroethanamine;chloride (CID 74764779) is hydron;2,2,2-trifluoroethanamine;chloride.
What is the SMILES notation for hydron;2,2,2-trifluoroethanamine;chloride?
The canonical SMILES for hydron;2,2,2-trifluoroethanamine;chloride is NCC(F)(F)F.[Cl-].[H+].
What is the InChIKey of hydron;2,2,2-trifluoroethanamine;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 hydron;2,2,2-trifluoroethanamine;chloride?
hydron;2,2,2-trifluoroethanamine;chloride has a molecular weight of 135.52 g/mol, XLogP of -2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2,2,2-trifluoroethanamine;chloride is sourced from PubChem (CID 74764779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).