N-[2-(2-aminoethoxy)ethyl]-3,3,3-trifluoropropan-1-amine

C7H15F3N2O — CID 79479154

IUPACN-[2-(2-aminoethoxy)ethyl]-3,3,3-trifluoropropan-1-amine
SMILESNCCOCCNCCC(F)(F)F
InChIInChI=1S/C7H15F3N2O/c8-7(9,10)1-3-12-4-6-13-5-2-11/h12H,1-6,11H2
InChIKeyJDUGQARKKMKVGX-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.50
Rot. Bonds7

About N-[2-(2-aminoethoxy)ethyl]-3,3,3-trifluoropropan-1-amine

N-[2-(2-aminoethoxy)ethyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 79479154) has the molecular formula C7H15F3N2O and a molecular weight of 200.20 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-3,3,3-trifluoropropan-1-amine
PubChem CID79479154
Molecular FormulaC7H15F3N2O
Molecular Weight200.20 g/mol
Exact Mass200.11
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-3,3,3-trifluoropropan-1-amine
SMILESNCCOCCNCCC(F)(F)F
InChIInChI=1S/C7H15F3N2O/c8-7(9,10)1-3-12-4-6-13-5-2-11/h12H,1-6,11H2
InChIKeyJDUGQARKKMKVGX-UHFFFAOYSA-N
XLogP0.50
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine
CID 15792937
3,3,3-trifluoro-N-(2-propoxyethyl)propan-1-amine
CID 106452004
N-[2-(2-chloroethoxy)ethyl]-3,3,3-trifluoropropan-1-amine
CID 65024374
2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethanamine
CID 156719251
N'-(3,3,3-trifluoropropyl)hexane-1,6-diamine
CID 63228081
2-(2,2,2-trifluoroethoxy)ethanamine
CID 2060297
N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethoxy]ethyl]formamide
CID 156794668
N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide
CID 106308033
3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine
CID 82958428
N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine
CID 82957153
N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513664
N'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine
CID 123161317

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3,3,3-trifluoropropan-1-amine (CID 79479154) is N-[2-(2-aminoethoxy)ethyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-3,3,3-trifluoropropan-1-amine is NCCOCCNCCC(F)(F)F.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is JDUGQARKKMKVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O/c8-7(9,10)1-3-12-4-6-13-5-2-11/h12H,1-6,11H2.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-3,3,3-trifluoropropan-1-amine?
N-[2-(2-aminoethoxy)ethyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 200.20 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 79479154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).