2,2,2-trifluoro-N-(2-methylpropoxy)ethanamine

C6H12F3NO — CID 82715290

IUPAC2,2,2-trifluoro-N-(2-methylpropoxy)ethanamine
SMILESCC(C)CONCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-5(2)3-11-10-4-6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyRUGBILXKJUYSFD-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.73
Rot. Bonds4

About 2,2,2-trifluoro-N-(2-methylpropoxy)ethanamine

2,2,2-trifluoro-N-(2-methylpropoxy)ethanamine (PubChem CID 82715290) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methylpropoxy)ethanamine
PubChem CID82715290
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name2,2,2-trifluoro-N-(2-methylpropoxy)ethanamine
SMILESCC(C)CONCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-5(2)3-11-10-4-6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyRUGBILXKJUYSFD-UHFFFAOYSA-N
XLogP1.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,2,2-trifluoro-N-(2-methylpropoxy)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(2-methylpropoxy)ethanamine (CID 82715290) is 2,2,2-trifluoro-N-(2-methylpropoxy)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methylpropoxy)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methylpropoxy)ethanamine is CC(C)CONCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methylpropoxy)ethanamine?
The InChIKey is RUGBILXKJUYSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-5(2)3-11-10-4-6(7,8)9/h5,10H,3-4H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-(2-methylpropoxy)ethanamine?
2,2,2-trifluoro-N-(2-methylpropoxy)ethanamine has a molecular weight of 171.16 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 82715290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).