N-(2-chloroethyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

C8H15ClF3NO — CID 63386933

IUPACN-(2-chloroethyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCN(CCCl)CCOCC(F)(F)F
InChIInChI=1S/C8H15ClF3NO/c1-2-13(4-3-9)5-6-14-7-8(10,11)12/h2-7H2,1H3
InChIKeyQPOKSYFKOWELJC-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.13
Rot. Bonds7

About N-(2-chloroethyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

N-(2-chloroethyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 63386933) has the molecular formula C8H15ClF3NO and a molecular weight of 233.66 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID63386933
Molecular FormulaC8H15ClF3NO
Molecular Weight233.66 g/mol
Exact Mass233.08
IUPAC NameN-(2-chloroethyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCN(CCCl)CCOCC(F)(F)F
InChIInChI=1S/C8H15ClF3NO/c1-2-13(4-3-9)5-6-14-7-8(10,11)12/h2-7H2,1H3
InChIKeyQPOKSYFKOWELJC-UHFFFAOYSA-N
XLogP2.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-(2-chloroethyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 63386933) is N-(2-chloroethyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-(2-chloroethyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is CCN(CCCl)CCOCC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is QPOKSYFKOWELJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClF3NO/c1-2-13(4-3-9)5-6-14-7-8(10,11)12/h2-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
N-(2-chloroethyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 233.66 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 63386933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).