3-(2,2,2-trifluoroethoxy)propan-1-amine;hydrochloride

C5H11ClF3NO — CID 42941139

IUPAC3-(2,2,2-trifluoroethoxy)propan-1-amine;hydrochloride
SMILESCl.NCCCOCC(F)(F)F
InChIInChI=1S/C5H10F3NO.ClH/c6-5(7,8)4-10-3-1-2-9;/h1-4,9H2;1H
InChIKeyLFHSWVOSJDIJRE-UHFFFAOYSA-N
MW193.60 g/mol
LogP1.34
Rot. Bonds4

About 3-(2,2,2-trifluoroethoxy)propan-1-amine;hydrochloride

3-(2,2,2-trifluoroethoxy)propan-1-amine;hydrochloride (PubChem CID 42941139) has the molecular formula C5H11ClF3NO and a molecular weight of 193.60 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)propan-1-amine;hydrochloride
PubChem CID42941139
Molecular FormulaC5H11ClF3NO
Molecular Weight193.60 g/mol
Exact Mass193.05
IUPAC Name3-(2,2,2-trifluoroethoxy)propan-1-amine;hydrochloride
SMILESCl.NCCCOCC(F)(F)F
InChIInChI=1S/C5H10F3NO.ClH/c6-5(7,8)4-10-3-1-2-9;/h1-4,9H2;1H
InChIKeyLFHSWVOSJDIJRE-UHFFFAOYSA-N
XLogP1.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.60
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxy)propan-1-amine;hydrochloride?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)propan-1-amine;hydrochloride (CID 42941139) is 3-(2,2,2-trifluoroethoxy)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)propan-1-amine;hydrochloride is Cl.NCCCOCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)propan-1-amine;hydrochloride?
The InChIKey is LFHSWVOSJDIJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO.ClH/c6-5(7,8)4-10-3-1-2-9;/h1-4,9H2;1H.
What are the key properties of 3-(2,2,2-trifluoroethoxy)propan-1-amine;hydrochloride?
3-(2,2,2-trifluoroethoxy)propan-1-amine;hydrochloride has a molecular weight of 193.60 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)propan-1-amine;hydrochloride is sourced from PubChem (CID 42941139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).