4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine

C16H13ClF4N2O — CID 55564884

IUPAC4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine
SMILESFc1ccc(C2CN(c3ncc(C(F)(F)F)cc3Cl)CCO2)cc1
InChIInChI=1S/C16H13ClF4N2O/c17-13-7-11(16(19,20)21)8-22-15(13)23-5-6-24-14(9-23)10-1-3-12(18)4-2-10/h1-4,7-8,14H,5-6,9H2
InChIKeyFZOKZWWWCKPFED-UHFFFAOYSA-N
MW360.74 g/mol
LogP4.47
Rot. Bonds2

About 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine

4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine (PubChem CID 55564884) has the molecular formula C16H13ClF4N2O and a molecular weight of 360.74 g/mol. Its IUPAC name is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine
PubChem CID55564884
Molecular FormulaC16H13ClF4N2O
Molecular Weight360.74 g/mol
Exact Mass360.07
IUPAC Name4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine
SMILESFc1ccc(C2CN(c3ncc(C(F)(F)F)cc3Cl)CCO2)cc1
InChIInChI=1S/C16H13ClF4N2O/c17-13-7-11(16(19,20)21)8-22-15(13)23-5-6-24-14(9-23)10-1-3-12(18)4-2-10/h1-4,7-8,14H,5-6,9H2
InChIKeyFZOKZWWWCKPFED-UHFFFAOYSA-N
XLogP4.47
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.74
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine?
The IUPAC name of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine (CID 55564884) is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine.
What is the SMILES notation for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine?
The canonical SMILES for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine is Fc1ccc(C2CN(c3ncc(C(F)(F)F)cc3Cl)CCO2)cc1.
What is the InChIKey of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine?
The InChIKey is FZOKZWWWCKPFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF4N2O/c17-13-7-11(16(19,20)21)8-22-15(13)23-5-6-24-14(9-23)10-1-3-12(18)4-2-10/h1-4,7-8,14H,5-6,9H2.
What are the key properties of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine?
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine has a molecular weight of 360.74 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine is sourced from PubChem (CID 55564884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).