[4-(trifluoromethyl)-2-pyridinyl] morpholine-4-carboxylate

C11H11F3N2O3 — CID 142667840

IUPAC[4-(trifluoromethyl)-2-pyridinyl] morpholine-4-carboxylate
SMILESO=C(Oc1cc(C(F)(F)F)ccn1)N1CCOCC1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)8-1-2-15-9(7-8)19-10(17)16-3-5-18-6-4-16/h1-2,7H,3-6H2
InChIKeyVFVQKOGCKOGTIX-UHFFFAOYSA-N
MW276.21 g/mol
LogP1.93
Rot. Bonds1

About [4-(trifluoromethyl)-2-pyridinyl] morpholine-4-carboxylate

[4-(trifluoromethyl)-2-pyridinyl] morpholine-4-carboxylate (PubChem CID 142667840) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is [4-(trifluoromethyl)-2-pyridinyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[4-(trifluoromethyl)-2-pyridinyl] morpholine-4-carboxylate
PubChem CID142667840
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name[4-(trifluoromethyl)-2-pyridinyl] morpholine-4-carboxylate
SMILESO=C(Oc1cc(C(F)(F)F)ccn1)N1CCOCC1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)8-1-2-15-9(7-8)19-10(17)16-3-5-18-6-4-16/h1-2,7H,3-6H2
InChIKeyVFVQKOGCKOGTIX-UHFFFAOYSA-N
XLogP1.93
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-4-yl-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 91815793
oxan-4-yl-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251519
pyrimidin-2-yl-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 100738519
2-chloro-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone
CID 117054478
furan-2-yl-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 100737713
(2,4-dichlorophenyl) morpholine-4-carboxylate
CID 134989455
2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanoate
CID 154344368
(3R)-N-tert-butyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
CID 100738596
[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl] morpholine-4-carboxylate
CID 129295205
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
N-(2,6-difluorophenyl)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122251579
[(6R)-6-pyrazin-2-yloxy-1,4-oxazepan-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 75536905

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)-2-pyridinyl] morpholine-4-carboxylate?
The IUPAC name of [4-(trifluoromethyl)-2-pyridinyl] morpholine-4-carboxylate (CID 142667840) is [4-(trifluoromethyl)-2-pyridinyl] morpholine-4-carboxylate.
What is the SMILES notation for [4-(trifluoromethyl)-2-pyridinyl] morpholine-4-carboxylate?
The canonical SMILES for [4-(trifluoromethyl)-2-pyridinyl] morpholine-4-carboxylate is O=C(Oc1cc(C(F)(F)F)ccn1)N1CCOCC1.
What is the InChIKey of [4-(trifluoromethyl)-2-pyridinyl] morpholine-4-carboxylate?
The InChIKey is VFVQKOGCKOGTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c12-11(13,14)8-1-2-15-9(7-8)19-10(17)16-3-5-18-6-4-16/h1-2,7H,3-6H2.
What are the key properties of [4-(trifluoromethyl)-2-pyridinyl] morpholine-4-carboxylate?
[4-(trifluoromethyl)-2-pyridinyl] morpholine-4-carboxylate has a molecular weight of 276.21 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)-2-pyridinyl] morpholine-4-carboxylate is sourced from PubChem (CID 142667840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).