[(2R)-2-(trifluoromethyl)morpholin-4-yl]-[4-(trifluoromethyl)piperidin-4-yl]methanone

C12H16F6N2O2 — CID 176759270

IUPAC[(2R)-2-(trifluoromethyl)morpholin-4-yl]-[4-(trifluoromethyl)piperidin-4-yl]methanone
SMILESO=C(N1CCO[C@@H](C(F)(F)F)C1)C1(C(F)(F)F)CCNCC1
InChIInChI=1S/C12H16F6N2O2/c13-11(14,15)8-7-20(5-6-22-8)9(21)10(12(16,17)18)1-3-19-4-2-10/h8,19H,1-7H2/t8-/m1/s1
InChIKeyYWUSHNHDLYXDBZ-MRVPVSSYSA-N
MW334.26 g/mol
LogP1.71
Rot. Bonds1

About [(2R)-2-(trifluoromethyl)morpholin-4-yl]-[4-(trifluoromethyl)piperidin-4-yl]methanone

[(2R)-2-(trifluoromethyl)morpholin-4-yl]-[4-(trifluoromethyl)piperidin-4-yl]methanone (PubChem CID 176759270) has the molecular formula C12H16F6N2O2 and a molecular weight of 334.26 g/mol. Its IUPAC name is [(2R)-2-(trifluoromethyl)morpholin-4-yl]-[4-(trifluoromethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(trifluoromethyl)morpholin-4-yl]-[4-(trifluoromethyl)piperidin-4-yl]methanone
PubChem CID176759270
Molecular FormulaC12H16F6N2O2
Molecular Weight334.26 g/mol
Exact Mass334.11
IUPAC Name[(2R)-2-(trifluoromethyl)morpholin-4-yl]-[4-(trifluoromethyl)piperidin-4-yl]methanone
SMILESO=C(N1CCO[C@@H](C(F)(F)F)C1)C1(C(F)(F)F)CCNCC1
InChIInChI=1S/C12H16F6N2O2/c13-11(14,15)8-7-20(5-6-22-8)9(21)10(12(16,17)18)1-3-19-4-2-10/h8,19H,1-7H2/t8-/m1/s1
InChIKeyYWUSHNHDLYXDBZ-MRVPVSSYSA-N
XLogP1.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(trifluoromethyl)morpholin-4-yl]-[4-(trifluoromethyl)piperidin-4-yl]methanone?
The IUPAC name of [(2R)-2-(trifluoromethyl)morpholin-4-yl]-[4-(trifluoromethyl)piperidin-4-yl]methanone (CID 176759270) is [(2R)-2-(trifluoromethyl)morpholin-4-yl]-[4-(trifluoromethyl)piperidin-4-yl]methanone.
What is the SMILES notation for [(2R)-2-(trifluoromethyl)morpholin-4-yl]-[4-(trifluoromethyl)piperidin-4-yl]methanone?
The canonical SMILES for [(2R)-2-(trifluoromethyl)morpholin-4-yl]-[4-(trifluoromethyl)piperidin-4-yl]methanone is O=C(N1CCO[C@@H](C(F)(F)F)C1)C1(C(F)(F)F)CCNCC1.
What is the InChIKey of [(2R)-2-(trifluoromethyl)morpholin-4-yl]-[4-(trifluoromethyl)piperidin-4-yl]methanone?
The InChIKey is YWUSHNHDLYXDBZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16F6N2O2/c13-11(14,15)8-7-20(5-6-22-8)9(21)10(12(16,17)18)1-3-19-4-2-10/h8,19H,1-7H2/t8-/m1/s1.
What are the key properties of [(2R)-2-(trifluoromethyl)morpholin-4-yl]-[4-(trifluoromethyl)piperidin-4-yl]methanone?
[(2R)-2-(trifluoromethyl)morpholin-4-yl]-[4-(trifluoromethyl)piperidin-4-yl]methanone has a molecular weight of 334.26 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(trifluoromethyl)morpholin-4-yl]-[4-(trifluoromethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 176759270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).