N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)propane-1,3-diamine

C7H15F3N2O — CID 114525240

IUPACN',N'-dimethyl-N-(2,2,2-trifluoroethoxy)propane-1,3-diamine
SMILESCN(C)CCCNOCC(F)(F)F
InChIInChI=1S/C7H15F3N2O/c1-12(2)5-3-4-11-13-6-7(8,9)10/h11H,3-6H2,1-2H3
InChIKeyRKLKSDZIQBOQGV-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.02
Rot. Bonds6

About N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)propane-1,3-diamine

N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)propane-1,3-diamine (PubChem CID 114525240) has the molecular formula C7H15F3N2O and a molecular weight of 200.20 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2,2,2-trifluoroethoxy)propane-1,3-diamine
PubChem CID114525240
Molecular FormulaC7H15F3N2O
Molecular Weight200.20 g/mol
Exact Mass200.11
IUPAC NameN',N'-dimethyl-N-(2,2,2-trifluoroethoxy)propane-1,3-diamine
SMILESCN(C)CCCNOCC(F)(F)F
InChIInChI=1S/C7H15F3N2O/c1-12(2)5-3-4-11-13-6-7(8,9)10/h11H,3-6H2,1-2H3
InChIKeyRKLKSDZIQBOQGV-UHFFFAOYSA-N
XLogP1.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.02
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)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)propane-1,3-diamine (CID 114525240) is N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)propane-1,3-diamine is CN(C)CCCNOCC(F)(F)F.
What is the InChIKey of N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)propane-1,3-diamine?
The InChIKey is RKLKSDZIQBOQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O/c1-12(2)5-3-4-11-13-6-7(8,9)10/h11H,3-6H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)propane-1,3-diamine?
N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)propane-1,3-diamine has a molecular weight of 200.20 g/mol, XLogP of 1.02, 6 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)propane-1,3-diamine is sourced from PubChem (CID 114525240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).