2,2-diethyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

C11H22F3NO — CID 62723637

IUPAC2,2-diethyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCC(CC)(CCOCC(F)(F)F)CNC
InChIInChI=1S/C11H22F3NO/c1-4-10(5-2,8-15-3)6-7-16-9-11(12,13)14/h15H,4-9H2,1-3H3
InChIKeyFHYOMZCFUURXBB-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.98
Rot. Bonds8

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

2,2-diethyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 62723637) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 2,2-diethyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID62723637
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name2,2-diethyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCC(CC)(CCOCC(F)(F)F)CNC
InChIInChI=1S/C11H22F3NO/c1-4-10(5-2,8-15-3)6-7-16-9-11(12,13)14/h15H,4-9H2,1-3H3
InChIKeyFHYOMZCFUURXBB-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.98
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 2,2-diethyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of 2,2-diethyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 62723637) is 2,2-diethyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for 2,2-diethyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for 2,2-diethyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is CCC(CC)(CCOCC(F)(F)F)CNC.
What is the InChIKey of 2,2-diethyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is FHYOMZCFUURXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-4-10(5-2,8-15-3)6-7-16-9-11(12,13)14/h15H,4-9H2,1-3H3.
What are the key properties of 2,2-diethyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
2,2-diethyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 241.30 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 62723637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).