N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine

C9H18F3NO2 — CID 62550263

IUPACN-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCOCCNCCCCOCC(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-14-7-5-13-4-2-3-6-15-8-9(10,11)12/h13H,2-8H2,1H3
InChIKeyPJDLVSFUOIENMO-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.58
Rot. Bonds9

About N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine

N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 62550263) has the molecular formula C9H18F3NO2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID62550263
Molecular FormulaC9H18F3NO2
Molecular Weight229.24 g/mol
Exact Mass229.13
IUPAC NameN-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCOCCNCCCCOCC(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-14-7-5-13-4-2-3-6-15-8-9(10,11)12/h13H,2-8H2,1H3
InChIKeyPJDLVSFUOIENMO-UHFFFAOYSA-N
XLogP1.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.58
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 N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 62550263) is N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine is COCCNCCCCOCC(F)(F)F.
What is the InChIKey of N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is PJDLVSFUOIENMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2/c1-14-7-5-13-4-2-3-6-15-8-9(10,11)12/h13H,2-8H2,1H3.
What are the key properties of N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 229.24 g/mol, XLogP of 1.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 62550263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).