2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,3,3-trifluoropropan-1-amine

C9H17F3N2O — CID 104957955

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,3,3-trifluoropropan-1-amine
SMILESC[C@@H]1CN(C(CN)C(F)(F)F)C[C@H](C)O1
InChIInChI=1S/C9H17F3N2O/c1-6-4-14(5-7(2)15-6)8(3-13)9(10,11)12/h6-8H,3-5,13H2,1-2H3/t6-,7+,8?
InChIKeyHZFUNQATRCEQCX-DHBOJHSNSA-N
MW226.24 g/mol
LogP0.99
Rot. Bonds2

About 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,3,3-trifluoropropan-1-amine

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,3,3-trifluoropropan-1-amine (PubChem CID 104957955) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,3,3-trifluoropropan-1-amine
PubChem CID104957955
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,3,3-trifluoropropan-1-amine
SMILESC[C@@H]1CN(C(CN)C(F)(F)F)C[C@H](C)O1
InChIInChI=1S/C9H17F3N2O/c1-6-4-14(5-7(2)15-6)8(3-13)9(10,11)12/h6-8H,3-5,13H2,1-2H3/t6-,7+,8?
InChIKeyHZFUNQATRCEQCX-DHBOJHSNSA-N
XLogP0.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,3,3-trifluoropropan-1-amine (CID 104957955) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,3,3-trifluoropropan-1-amine is C[C@@H]1CN(C(CN)C(F)(F)F)C[C@H](C)O1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is HZFUNQATRCEQCX-DHBOJHSNSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-6-4-14(5-7(2)15-6)8(3-13)9(10,11)12/h6-8H,3-5,13H2,1-2H3/t6-,7+,8?.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,3,3-trifluoropropan-1-amine?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 226.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 104957955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).