1,2,2-trifluoroethanamine;hydrochloride

C2H5ClF3N — CID 87073231

IUPAC1,2,2-trifluoroethanamine;hydrochloride
SMILESCl.NC(F)C(F)F
InChIInChI=1S/C2H4F3N.ClH/c3-1(4)2(5)6;/h1-2H,6H2;1H
InChIKeyKDLCMVUYPASPNF-UHFFFAOYSA-N
MW135.52 g/mol
LogP0.93
Rot. Bonds1

About 1,2,2-trifluoroethanamine;hydrochloride

1,2,2-trifluoroethanamine;hydrochloride (PubChem CID 87073231) has the molecular formula C2H5ClF3N and a molecular weight of 135.52 g/mol. Its IUPAC name is 1,2,2-trifluoroethanamine;hydrochloride.

Molecular Properties

Compound Name1,2,2-trifluoroethanamine;hydrochloride
PubChem CID87073231
Molecular FormulaC2H5ClF3N
Molecular Weight135.52 g/mol
Exact Mass135.01
IUPAC Name1,2,2-trifluoroethanamine;hydrochloride
SMILESCl.NC(F)C(F)F
InChIInChI=1S/C2H4F3N.ClH/c3-1(4)2(5)6;/h1-2H,6H2;1H
InChIKeyKDLCMVUYPASPNF-UHFFFAOYSA-N
XLogP0.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.52
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoroethanamine;hydrochloride?
The IUPAC name of 1,2,2-trifluoroethanamine;hydrochloride (CID 87073231) is 1,2,2-trifluoroethanamine;hydrochloride.
What is the SMILES notation for 1,2,2-trifluoroethanamine;hydrochloride?
The canonical SMILES for 1,2,2-trifluoroethanamine;hydrochloride is Cl.NC(F)C(F)F.
What is the InChIKey of 1,2,2-trifluoroethanamine;hydrochloride?
The InChIKey is KDLCMVUYPASPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F3N.ClH/c3-1(4)2(5)6;/h1-2H,6H2;1H.
What are the key properties of 1,2,2-trifluoroethanamine;hydrochloride?
1,2,2-trifluoroethanamine;hydrochloride has a molecular weight of 135.52 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoroethanamine;hydrochloride is sourced from PubChem (CID 87073231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).