4-[(3-pyridin-2-ylphenyl)methyl]-2-(trifluoromethyl)morpholine

C17H17F3N2O — CID 56911921

IUPAC4-[(3-pyridin-2-ylphenyl)methyl]-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)C1CN(Cc2cccc(-c3ccccn3)c2)CCO1
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)16-12-22(8-9-23-16)11-13-4-3-5-14(10-13)15-6-1-2-7-21-15/h1-7,10,16H,8-9,11-12H2
InChIKeyKIOPADBYYNNKNN-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.51
Rot. Bonds3

About 4-[(3-pyridin-2-ylphenyl)methyl]-2-(trifluoromethyl)morpholine

4-[(3-pyridin-2-ylphenyl)methyl]-2-(trifluoromethyl)morpholine (PubChem CID 56911921) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is 4-[(3-pyridin-2-ylphenyl)methyl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-[(3-pyridin-2-ylphenyl)methyl]-2-(trifluoromethyl)morpholine
PubChem CID56911921
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name4-[(3-pyridin-2-ylphenyl)methyl]-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)C1CN(Cc2cccc(-c3ccccn3)c2)CCO1
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)16-12-22(8-9-23-16)11-13-4-3-5-14(10-13)15-6-1-2-7-21-15/h1-7,10,16H,8-9,11-12H2
InChIKeyKIOPADBYYNNKNN-UHFFFAOYSA-N
XLogP3.51
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-pyridin-2-ylphenyl)methyl]-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-[(3-pyridin-2-ylphenyl)methyl]-2-(trifluoromethyl)morpholine (CID 56911921) is 4-[(3-pyridin-2-ylphenyl)methyl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-[(3-pyridin-2-ylphenyl)methyl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-[(3-pyridin-2-ylphenyl)methyl]-2-(trifluoromethyl)morpholine is FC(F)(F)C1CN(Cc2cccc(-c3ccccn3)c2)CCO1.
What is the InChIKey of 4-[(3-pyridin-2-ylphenyl)methyl]-2-(trifluoromethyl)morpholine?
The InChIKey is KIOPADBYYNNKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c18-17(19,20)16-12-22(8-9-23-16)11-13-4-3-5-14(10-13)15-6-1-2-7-21-15/h1-7,10,16H,8-9,11-12H2.
What are the key properties of 4-[(3-pyridin-2-ylphenyl)methyl]-2-(trifluoromethyl)morpholine?
4-[(3-pyridin-2-ylphenyl)methyl]-2-(trifluoromethyl)morpholine has a molecular weight of 322.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-pyridin-2-ylphenyl)methyl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 56911921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).