2-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine

C15H13F4N3O — CID 175128084

IUPAC2-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine
SMILESFc1cncc(-c2ccc(C3CNCCO3)c(C(F)(F)F)n2)c1
InChIInChI=1S/C15H13F4N3O/c16-10-5-9(6-21-7-10)12-2-1-11(13-8-20-3-4-23-13)14(22-12)15(17,18)19/h1-2,5-7,13,20H,3-4,8H2
InChIKeyFBGIKULAJANUAL-UHFFFAOYSA-N
MW327.28 g/mol
LogP2.96
Rot. Bonds2

About 2-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine

2-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine (PubChem CID 175128084) has the molecular formula C15H13F4N3O and a molecular weight of 327.28 g/mol. Its IUPAC name is 2-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine.

Molecular Properties

Compound Name2-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine
PubChem CID175128084
Molecular FormulaC15H13F4N3O
Molecular Weight327.28 g/mol
Exact Mass327.10
IUPAC Name2-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine
SMILESFc1cncc(-c2ccc(C3CNCCO3)c(C(F)(F)F)n2)c1
InChIInChI=1S/C15H13F4N3O/c16-10-5-9(6-21-7-10)12-2-1-11(13-8-20-3-4-23-13)14(22-12)15(17,18)19/h1-2,5-7,13,20H,3-4,8H2
InChIKeyFBGIKULAJANUAL-UHFFFAOYSA-N
XLogP2.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine
CID 130453759
(2R)-2-(2,4-difluorophenyl)morpholine
CID 93302359
2-(2-bromo-4-fluorophenyl)morpholine
CID 83734450
(5-fluoro-3-pyridinyl)-morpholin-2-ylmethanone
CID 116561776
2-[4-(4-fluorophenyl)pyrimidin-2-yl]morpholine
CID 116901764
2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine
CID 19974265
2,3-difluoro-6-morpholin-2-ylphenol
CID 84783760
2-(2-fluoro-4-methylphenyl)morpholine
CID 83698750
(E)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]but-2-enamide
CID 130472969
(3-fluoro-4-morpholin-2-ylphenyl)boronic acid
CID 175210838
3-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-5-methyl-1,3,5-oxadiazinan-4-one
CID 130453696
2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130473225

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine?
The IUPAC name of 2-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine (CID 175128084) is 2-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine.
What is the SMILES notation for 2-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine?
The canonical SMILES for 2-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine is Fc1cncc(-c2ccc(C3CNCCO3)c(C(F)(F)F)n2)c1.
What is the InChIKey of 2-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine?
The InChIKey is FBGIKULAJANUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N3O/c16-10-5-9(6-21-7-10)12-2-1-11(13-8-20-3-4-23-13)14(22-12)15(17,18)19/h1-2,5-7,13,20H,3-4,8H2.
What are the key properties of 2-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine?
2-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine has a molecular weight of 327.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine is sourced from PubChem (CID 175128084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).