4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one

C18H17F3N2O3 — CID 147498680

IUPAC4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one
SMILESO=C1COCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cc1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)15-6-5-14(10-24)17(22-15)13-3-1-12(2-4-13)9-23-7-8-26-11-16(23)25/h1-6,24H,7-11H2
InChIKeyFGZIVDGYEAJCQJ-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.62
Rot. Bonds4

About 4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one

4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one (PubChem CID 147498680) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one
PubChem CID147498680
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one
SMILESO=C1COCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cc1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)15-6-5-14(10-24)17(22-15)13-3-1-12(2-4-13)9-23-7-8-26-11-16(23)25/h1-6,24H,7-11H2
InChIKeyFGZIVDGYEAJCQJ-UHFFFAOYSA-N
XLogP2.62
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one?
The IUPAC name of 4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one (CID 147498680) is 4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one.
What is the SMILES notation for 4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one?
The canonical SMILES for 4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one is O=C1COCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cc1.
What is the InChIKey of 4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one?
The InChIKey is FGZIVDGYEAJCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)15-6-5-14(10-24)17(22-15)13-3-1-12(2-4-13)9-23-7-8-26-11-16(23)25/h1-6,24H,7-11H2.
What are the key properties of 4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one?
4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one has a molecular weight of 366.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]morpholin-3-one is sourced from PubChem (CID 147498680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).