N,N-diethyl-1-(1,1,2-trifluoroethoxy)ethanamine

C8H16F3NO — CID 162464920

IUPACN,N-diethyl-1-(1,1,2-trifluoroethoxy)ethanamine
SMILESCCN(CC)C(C)OC(F)(F)CF
InChIInChI=1S/C8H16F3NO/c1-4-12(5-2)7(3)13-8(10,11)6-9/h7H,4-6H2,1-3H3
InChIKeyIUXIQSXKCHYSRR-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.25
Rot. Bonds6

About N,N-diethyl-1-(1,1,2-trifluoroethoxy)ethanamine

N,N-diethyl-1-(1,1,2-trifluoroethoxy)ethanamine (PubChem CID 162464920) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is N,N-diethyl-1-(1,1,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-1-(1,1,2-trifluoroethoxy)ethanamine
PubChem CID162464920
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC NameN,N-diethyl-1-(1,1,2-trifluoroethoxy)ethanamine
SMILESCCN(CC)C(C)OC(F)(F)CF
InChIInChI=1S/C8H16F3NO/c1-4-12(5-2)7(3)13-8(10,11)6-9/h7H,4-6H2,1-3H3
InChIKeyIUXIQSXKCHYSRR-UHFFFAOYSA-N
XLogP2.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(1,1,2-trifluoroethoxy)ethanamine?
The IUPAC name of N,N-diethyl-1-(1,1,2-trifluoroethoxy)ethanamine (CID 162464920) is N,N-diethyl-1-(1,1,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N,N-diethyl-1-(1,1,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N,N-diethyl-1-(1,1,2-trifluoroethoxy)ethanamine is CCN(CC)C(C)OC(F)(F)CF.
What is the InChIKey of N,N-diethyl-1-(1,1,2-trifluoroethoxy)ethanamine?
The InChIKey is IUXIQSXKCHYSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-4-12(5-2)7(3)13-8(10,11)6-9/h7H,4-6H2,1-3H3.
What are the key properties of N,N-diethyl-1-(1,1,2-trifluoroethoxy)ethanamine?
N,N-diethyl-1-(1,1,2-trifluoroethoxy)ethanamine has a molecular weight of 199.22 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(1,1,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 162464920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).