diethyl-methyl-[1-(1,1,2-trifluoroethoxy)ethyl]azanium iodide

C9H19F3INO — CID 162464916

IUPACdiethyl-methyl-[1-(1,1,2-trifluoroethoxy)ethyl]azanium iodide
SMILESCC[N+](C)(CC)C(C)OC(F)(F)CF.[I-]
InChIInChI=1S/C9H19F3NO.HI/c1-5-13(4,6-2)8(3)14-9(11,12)7-10;/h8H,5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyNYIHTWKEJMFFFN-UHFFFAOYSA-M
MW341.16 g/mol
LogP-0.60
Rot. Bonds6

About diethyl-methyl-[1-(1,1,2-trifluoroethoxy)ethyl]azanium iodide

diethyl-methyl-[1-(1,1,2-trifluoroethoxy)ethyl]azanium iodide (PubChem CID 162464916) has the molecular formula C9H19F3INO and a molecular weight of 341.16 g/mol. Its IUPAC name is diethyl-methyl-[1-(1,1,2-trifluoroethoxy)ethyl]azanium iodide.

Molecular Properties

Compound Namediethyl-methyl-[1-(1,1,2-trifluoroethoxy)ethyl]azanium iodide
PubChem CID162464916
Molecular FormulaC9H19F3INO
Molecular Weight341.16 g/mol
Exact Mass341.05
IUPAC Namediethyl-methyl-[1-(1,1,2-trifluoroethoxy)ethyl]azanium iodide
SMILESCC[N+](C)(CC)C(C)OC(F)(F)CF.[I-]
InChIInChI=1S/C9H19F3NO.HI/c1-5-13(4,6-2)8(3)14-9(11,12)7-10;/h8H,5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyNYIHTWKEJMFFFN-UHFFFAOYSA-M
XLogP-0.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 57680041
3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 57680080
N,N-Diethyl-2-(2,2,2-trifluoroethoxy)ethan-1-amine
CID 71408315
1-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[1-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine
CID 88834731
1-ethoxy-2,2,2-trifluoro-N,N-dimethylethanamine
CID 138517374
N,N-diethyl-1-(1,2,2-trifluoroethoxy)ethanamine
CID 138687370
Diethyl-methyl-[2-(2,2,2-trifluoroethoxy)ethyl]azanium;iodide
CID 138687371
Diethyl-methyl-[2-(2,2,2-trifluoroethoxy)ethyl]azanium
CID 138687372
Diethyl-methyl-[1-(1,2,2-trifluoroethoxy)ethyl]azanium
CID 138687375
Diethyl-methyl-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]azanium iodide
CID 138687376
1-ethoxy-N,N-diethyl-2,2,2-trifluoroethanamine
CID 140129722
N-propyl-N-(2,2,2-trifluoro-1-methoxyethyl)propan-1-amine
CID 140129727

Frequently Asked Questions

What is the IUPAC name of diethyl-methyl-[1-(1,1,2-trifluoroethoxy)ethyl]azanium iodide?
The IUPAC name of diethyl-methyl-[1-(1,1,2-trifluoroethoxy)ethyl]azanium iodide (CID 162464916) is diethyl-methyl-[1-(1,1,2-trifluoroethoxy)ethyl]azanium iodide.
What is the SMILES notation for diethyl-methyl-[1-(1,1,2-trifluoroethoxy)ethyl]azanium iodide?
The canonical SMILES for diethyl-methyl-[1-(1,1,2-trifluoroethoxy)ethyl]azanium iodide is CC[N+](C)(CC)C(C)OC(F)(F)CF.[I-].
What is the InChIKey of diethyl-methyl-[1-(1,1,2-trifluoroethoxy)ethyl]azanium iodide?
The InChIKey is NYIHTWKEJMFFFN-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19F3NO.HI/c1-5-13(4,6-2)8(3)14-9(11,12)7-10;/h8H,5-7H2,1-4H3;1H/q+1;/p-1.
What are the key properties of diethyl-methyl-[1-(1,1,2-trifluoroethoxy)ethyl]azanium iodide?
diethyl-methyl-[1-(1,1,2-trifluoroethoxy)ethyl]azanium iodide has a molecular weight of 341.16 g/mol, XLogP of -0.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-[1-(1,1,2-trifluoroethoxy)ethyl]azanium iodide is sourced from PubChem (CID 162464916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).