3-(2,2-dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-1-amine

C10H19F3N2O — CID 43753185

IUPAC3-(2,2-dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-1-amine
SMILESCC1(C)CN(C(CCN)C(F)(F)F)CCO1
InChIInChI=1S/C10H19F3N2O/c1-9(2)7-15(5-6-16-9)8(3-4-14)10(11,12)13/h8H,3-7,14H2,1-2H3
InChIKeyHTYLUXGWROUHAR-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.38
Rot. Bonds3

About 3-(2,2-dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-1-amine

3-(2,2-dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-1-amine (PubChem CID 43753185) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-(2,2-dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-(2,2-dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-1-amine
PubChem CID43753185
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name3-(2,2-dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-1-amine
SMILESCC1(C)CN(C(CCN)C(F)(F)F)CCO1
InChIInChI=1S/C10H19F3N2O/c1-9(2)7-15(5-6-16-9)8(3-4-14)10(11,12)13/h8H,3-7,14H2,1-2H3
InChIKeyHTYLUXGWROUHAR-UHFFFAOYSA-N
XLogP1.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-1-amine (CID 43753185) is 3-(2,2-dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-(2,2-dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-(2,2-dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-1-amine is CC1(C)CN(C(CCN)C(F)(F)F)CCO1.
What is the InChIKey of 3-(2,2-dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is HTYLUXGWROUHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-9(2)7-15(5-6-16-9)8(3-4-14)10(11,12)13/h8H,3-7,14H2,1-2H3.
What are the key properties of 3-(2,2-dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-1-amine?
3-(2,2-dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 240.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 43753185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).