N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)ethane-1,2-diamine

C6H13F3N2O — CID 82721284

IUPACN',N'-dimethyl-N-(2,2,2-trifluoroethoxy)ethane-1,2-diamine
SMILESCN(C)CCNOCC(F)(F)F
InChIInChI=1S/C6H13F3N2O/c1-11(2)4-3-10-12-5-6(7,8)9/h10H,3-5H2,1-2H3
InChIKeyAIYCIDYWQAQWGP-UHFFFAOYSA-N
MW186.18 g/mol
LogP0.63
Rot. Bonds5

About N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)ethane-1,2-diamine

N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)ethane-1,2-diamine (PubChem CID 82721284) has the molecular formula C6H13F3N2O and a molecular weight of 186.18 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2,2,2-trifluoroethoxy)ethane-1,2-diamine
PubChem CID82721284
Molecular FormulaC6H13F3N2O
Molecular Weight186.18 g/mol
Exact Mass186.10
IUPAC NameN',N'-dimethyl-N-(2,2,2-trifluoroethoxy)ethane-1,2-diamine
SMILESCN(C)CCNOCC(F)(F)F
InChIInChI=1S/C6H13F3N2O/c1-11(2)4-3-10-12-5-6(7,8)9/h10H,3-5H2,1-2H3
InChIKeyAIYCIDYWQAQWGP-UHFFFAOYSA-N
XLogP0.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)ethane-1,2-diamine (CID 82721284) is N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)ethane-1,2-diamine is CN(C)CCNOCC(F)(F)F.
What is the InChIKey of N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)ethane-1,2-diamine?
The InChIKey is AIYCIDYWQAQWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O/c1-11(2)4-3-10-12-5-6(7,8)9/h10H,3-5H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)ethane-1,2-diamine?
N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)ethane-1,2-diamine has a molecular weight of 186.18 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)ethane-1,2-diamine is sourced from PubChem (CID 82721284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).