N-[2-(2-aminoethoxy)ethyl]-2-bromoacetamide;2,2,2-trifluoroacetic acid

C8H14BrF3N2O4 — CID 154803622

IUPACN-[2-(2-aminoethoxy)ethyl]-2-bromoacetamide;2,2,2-trifluoroacetic acid
SMILESNCCOCCNC(=O)CBr.O=C(O)C(F)(F)F
InChIInChI=1S/C6H13BrN2O2.C2HF3O2/c7-5-6(10)9-2-4-11-3-1-8;3-2(4,5)1(6)7/h1-5,8H2,(H,9,10);(H,6,7)
InChIKeyZWVNTOPILQPOER-UHFFFAOYSA-N
MW339.11 g/mol
LogP0.11
Rot. Bonds6

About N-[2-(2-aminoethoxy)ethyl]-2-bromoacetamide;2,2,2-trifluoroacetic acid

N-[2-(2-aminoethoxy)ethyl]-2-bromoacetamide;2,2,2-trifluoroacetic acid (PubChem CID 154803622) has the molecular formula C8H14BrF3N2O4 and a molecular weight of 339.11 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-2-bromoacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-2-bromoacetamide;2,2,2-trifluoroacetic acid
PubChem CID154803622
Molecular FormulaC8H14BrF3N2O4
Molecular Weight339.11 g/mol
Exact Mass338.01
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-2-bromoacetamide;2,2,2-trifluoroacetic acid
SMILESNCCOCCNC(=O)CBr.O=C(O)C(F)(F)F
InChIInChI=1S/C6H13BrN2O2.C2HF3O2/c7-5-6(10)9-2-4-11-3-1-8;3-2(4,5)1(6)7/h1-5,8H2,(H,9,10);(H,6,7)
InChIKeyZWVNTOPILQPOER-UHFFFAOYSA-N
XLogP0.11
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.11
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 172820590
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 134608618
N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide;hydrochloride
CID 156792788
N-[2-(2-aminoethoxy)ethyl]propanamide;2,2,2-trifluoroacetamide;hydrochloride
CID 156501444
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;2,2,2-trifluoroacetic acid
CID 154704767
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 88921275
N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide
CID 106308033
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide
CID 139566565
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 63828602
N-[2-(2-aminoethoxy)ethyl]-2-propoxyacetamide
CID 107941598
tert-butyl N-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 11046862
ethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 87485820

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2-bromoacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2-bromoacetamide;2,2,2-trifluoroacetic acid (CID 154803622) is N-[2-(2-aminoethoxy)ethyl]-2-bromoacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-2-bromoacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-2-bromoacetamide;2,2,2-trifluoroacetic acid is NCCOCCNC(=O)CBr.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-2-bromoacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZWVNTOPILQPOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BrN2O2.C2HF3O2/c7-5-6(10)9-2-4-11-3-1-8;3-2(4,5)1(6)7/h1-5,8H2,(H,9,10);(H,6,7).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-2-bromoacetamide;2,2,2-trifluoroacetic acid?
N-[2-(2-aminoethoxy)ethyl]-2-bromoacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 339.11 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-2-bromoacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154803622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).