N-ethyl-2,2,2-trifluoroethanamine;hydrochloride

C4H9ClF3N — CID 42919629

IUPACN-ethyl-2,2,2-trifluoroethanamine;hydrochloride
SMILESCCNCC(F)(F)F.Cl
InChIInChI=1S/C4H8F3N.ClH/c1-2-8-3-4(5,6)7;/h8H,2-3H2,1H3;1H
InChIKeyJZUREOAGNLWCRL-UHFFFAOYSA-N
MW163.57 g/mol
LogP1.58
Rot. Bonds2

About N-ethyl-2,2,2-trifluoroethanamine;hydrochloride

N-ethyl-2,2,2-trifluoroethanamine;hydrochloride (PubChem CID 42919629) has the molecular formula C4H9ClF3N and a molecular weight of 163.57 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoroethanamine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoroethanamine;hydrochloride
PubChem CID42919629
Molecular FormulaC4H9ClF3N
Molecular Weight163.57 g/mol
Exact Mass163.04
IUPAC NameN-ethyl-2,2,2-trifluoroethanamine;hydrochloride
SMILESCCNCC(F)(F)F.Cl
InChIInChI=1S/C4H8F3N.ClH/c1-2-8-3-4(5,6)7;/h8H,2-3H2,1H3;1H
InChIKeyJZUREOAGNLWCRL-UHFFFAOYSA-N
XLogP1.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.57
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoroethanamine;hydrochloride?
The IUPAC name of N-ethyl-2,2,2-trifluoroethanamine;hydrochloride (CID 42919629) is N-ethyl-2,2,2-trifluoroethanamine;hydrochloride.
What is the SMILES notation for N-ethyl-2,2,2-trifluoroethanamine;hydrochloride?
The canonical SMILES for N-ethyl-2,2,2-trifluoroethanamine;hydrochloride is CCNCC(F)(F)F.Cl.
What is the InChIKey of N-ethyl-2,2,2-trifluoroethanamine;hydrochloride?
The InChIKey is JZUREOAGNLWCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3N.ClH/c1-2-8-3-4(5,6)7;/h8H,2-3H2,1H3;1H.
What are the key properties of N-ethyl-2,2,2-trifluoroethanamine;hydrochloride?
N-ethyl-2,2,2-trifluoroethanamine;hydrochloride has a molecular weight of 163.57 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoroethanamine;hydrochloride is sourced from PubChem (CID 42919629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).