N-ethyl-4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)butan-1-amine

C11H21F3N2O — CID 79093073

IUPACN-ethyl-4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CN(C)CCO1
InChIInChI=1S/C11H21F3N2O/c1-3-15-9(4-5-11(12,13)14)10-8-16(2)6-7-17-10/h9-10,15H,3-8H2,1-2H3
InChIKeyANOXSJNWGHONGN-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.64
Rot. Bonds5

About N-ethyl-4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)butan-1-amine

N-ethyl-4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)butan-1-amine (PubChem CID 79093073) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)butan-1-amine
PubChem CID79093073
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CN(C)CCO1
InChIInChI=1S/C11H21F3N2O/c1-3-15-9(4-5-11(12,13)14)10-8-16(2)6-7-17-10/h9-10,15H,3-8H2,1-2H3
InChIKeyANOXSJNWGHONGN-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)butan-1-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)butan-1-amine (CID 79093073) is N-ethyl-4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)butan-1-amine is CCNC(CCC(F)(F)F)C1CN(C)CCO1.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)butan-1-amine?
The InChIKey is ANOXSJNWGHONGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-3-15-9(4-5-11(12,13)14)10-8-16(2)6-7-17-10/h9-10,15H,3-8H2,1-2H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)butan-1-amine?
N-ethyl-4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)butan-1-amine has a molecular weight of 254.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-(4-methylmorpholin-2-yl)butan-1-amine is sourced from PubChem (CID 79093073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).