3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)propane-1,2-diamine

C10H21F3N2O2 — CID 54985274

IUPAC3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)propane-1,2-diamine
SMILESCOCCCN(CCOC)C(CN)C(F)(F)F
InChIInChI=1S/C10H21F3N2O2/c1-16-6-3-4-15(5-7-17-2)9(8-14)10(11,12)13/h9H,3-8,14H2,1-2H3
InChIKeyGUCADKZDRBFVMD-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.86
Rot. Bonds9

About 3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)propane-1,2-diamine

3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)propane-1,2-diamine (PubChem CID 54985274) has the molecular formula C10H21F3N2O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)propane-1,2-diamine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)propane-1,2-diamine
PubChem CID54985274
Molecular FormulaC10H21F3N2O2
Molecular Weight258.28 g/mol
Exact Mass258.16
IUPAC Name3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)propane-1,2-diamine
SMILESCOCCCN(CCOC)C(CN)C(F)(F)F
InChIInChI=1S/C10H21F3N2O2/c1-16-6-3-4-15(5-7-17-2)9(8-14)10(11,12)13/h9H,3-8,14H2,1-2H3
InChIKeyGUCADKZDRBFVMD-UHFFFAOYSA-N
XLogP0.86
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)propane-1,2-diamine?
The IUPAC name of 3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)propane-1,2-diamine (CID 54985274) is 3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)propane-1,2-diamine.
What is the SMILES notation for 3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)propane-1,2-diamine?
The canonical SMILES for 3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)propane-1,2-diamine is COCCCN(CCOC)C(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)propane-1,2-diamine?
The InChIKey is GUCADKZDRBFVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O2/c1-16-6-3-4-15(5-7-17-2)9(8-14)10(11,12)13/h9H,3-8,14H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)propane-1,2-diamine?
3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)propane-1,2-diamine has a molecular weight of 258.28 g/mol, XLogP of 0.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)propane-1,2-diamine is sourced from PubChem (CID 54985274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).