4,4,4-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine

C10H20F3NO — CID 103931439

IUPAC4,4,4-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine
SMILESCC(CC(F)(F)F)NCCOC(C)(C)C
InChIInChI=1S/C10H20F3NO/c1-8(7-10(11,12)13)14-5-6-15-9(2,3)4/h8,14H,5-7H2,1-4H3
InChIKeyMGXYZMWIAMJSHH-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.73
Rot. Bonds5

About 4,4,4-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine

4,4,4-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine (PubChem CID 103931439) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine
PubChem CID103931439
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name4,4,4-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine
SMILESCC(CC(F)(F)F)NCCOC(C)(C)C
InChIInChI=1S/C10H20F3NO/c1-8(7-10(11,12)13)14-5-6-15-9(2,3)4/h8,14H,5-7H2,1-4H3
InChIKeyMGXYZMWIAMJSHH-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4,4,4-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine (CID 103931439) is 4,4,4-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine is CC(CC(F)(F)F)NCCOC(C)(C)C.
What is the InChIKey of 4,4,4-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine?
The InChIKey is MGXYZMWIAMJSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-8(7-10(11,12)13)14-5-6-15-9(2,3)4/h8,14H,5-7H2,1-4H3.
What are the key properties of 4,4,4-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine?
4,4,4-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine has a molecular weight of 227.27 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine is sourced from PubChem (CID 103931439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).