2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine

C7H14F3NO — CID 60690622

IUPAC2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC(C)OCCNCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-6(2)12-4-3-11-5-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyKQSZGBCLZHZNJB-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.56
Rot. Bonds5

About 2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine

2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine (PubChem CID 60690622) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine
PubChem CID60690622
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC(C)OCCNCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-6(2)12-4-3-11-5-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyKQSZGBCLZHZNJB-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.56
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine (CID 60690622) is 2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine is CC(C)OCCNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine?
The InChIKey is KQSZGBCLZHZNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-6(2)12-4-3-11-5-7(8,9)10/h6,11H,3-5H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine?
2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine has a molecular weight of 185.19 g/mol, XLogP of 1.56, 5 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-propan-2-yloxyethyl)ethanamine is sourced from PubChem (CID 60690622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).