2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-N-methylethanamine

C7H11F6NO — CID 89146026

IUPAC2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-N-methylethanamine
SMILESCNCCOC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6NO/c1-5(6(8,9)10,7(11,12)13)15-4-3-14-2/h14H,3-4H2,1-2H3
InChIKeyKVCULQVEBINIBE-UHFFFAOYSA-N
MW239.16 g/mol
LogP2.11
Rot. Bonds4

About 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-N-methylethanamine

2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-N-methylethanamine (PubChem CID 89146026) has the molecular formula C7H11F6NO and a molecular weight of 239.16 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-N-methylethanamine.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-N-methylethanamine
PubChem CID89146026
Molecular FormulaC7H11F6NO
Molecular Weight239.16 g/mol
Exact Mass239.07
IUPAC Name2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-N-methylethanamine
SMILESCNCCOC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6NO/c1-5(6(8,9)10,7(11,12)13)15-4-3-14-2/h14H,3-4H2,1-2H3
InChIKeyKVCULQVEBINIBE-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-N-methylethanamine?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-N-methylethanamine (CID 89146026) is 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-N-methylethanamine.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-N-methylethanamine?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-N-methylethanamine is CNCCOC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-N-methylethanamine?
The InChIKey is KVCULQVEBINIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F6NO/c1-5(6(8,9)10,7(11,12)13)15-4-3-14-2/h14H,3-4H2,1-2H3.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-N-methylethanamine?
2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-N-methylethanamine has a molecular weight of 239.16 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-N-methylethanamine is sourced from PubChem (CID 89146026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).