2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C12H22F3NO2 — CID 106706198

IUPAC2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCOCCNCC(C)(COCC(F)(F)F)C1CC1
InChIInChI=1S/C12H22F3NO2/c1-11(10-3-4-10,7-16-5-6-17-2)8-18-9-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyQAKOWFOMGGUBRO-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.22
Rot. Bonds9

About 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 106706198) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID106706198
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCOCCNCC(C)(COCC(F)(F)F)C1CC1
InChIInChI=1S/C12H22F3NO2/c1-11(10-3-4-10,7-16-5-6-17-2)8-18-9-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyQAKOWFOMGGUBRO-UHFFFAOYSA-N
XLogP2.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 106706198) is 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is COCCNCC(C)(COCC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is QAKOWFOMGGUBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-11(10-3-4-10,7-16-5-6-17-2)8-18-9-12(13,14)15/h10,16H,3-9H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 269.31 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 106706198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).