4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine

C13H16ClF3N2O — CID 102715591

IUPAC4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H16ClF3N2O/c1-3-10-7-20-8(2)6-19(10)12-5-9(13(15,16)17)4-11(14)18-12/h4-5,8,10H,3,6-7H2,1-2H3
InChIKeySDYWBYQLOMRMOJ-UHFFFAOYSA-N
MW308.73 g/mol
LogP3.76
Rot. Bonds2

About 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine

4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine (PubChem CID 102715591) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine.

Molecular Properties

Compound Name4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine
PubChem CID102715591
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H16ClF3N2O/c1-3-10-7-20-8(2)6-19(10)12-5-9(13(15,16)17)4-11(14)18-12/h4-5,8,10H,3,6-7H2,1-2H3
InChIKeySDYWBYQLOMRMOJ-UHFFFAOYSA-N
XLogP3.76
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine?
The IUPAC name of 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine (CID 102715591) is 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine.
What is the SMILES notation for 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine?
The canonical SMILES for 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine is CCC1COC(C)CN1c1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine?
The InChIKey is SDYWBYQLOMRMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c1-3-10-7-20-8(2)6-19(10)12-5-9(13(15,16)17)4-11(14)18-12/h4-5,8,10H,3,6-7H2,1-2H3.
What are the key properties of 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine?
4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine has a molecular weight of 308.73 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine is sourced from PubChem (CID 102715591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).