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

C11H12ClF3N2O — CID 102715413

IUPAC4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine
SMILESCC1CN(c2cc(C(F)(F)F)cc(Cl)n2)CCO1
InChIInChI=1S/C11H12ClF3N2O/c1-7-6-17(2-3-18-7)10-5-8(11(13,14)15)4-9(12)16-10/h4-5,7H,2-3,6H2,1H3
InChIKeyRHYPWIMEKAMNDZ-UHFFFAOYSA-N
MW280.68 g/mol
LogP2.98
Rot. Bonds1

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

4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine (PubChem CID 102715413) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine
PubChem CID102715413
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC Name4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine
SMILESCC1CN(c2cc(C(F)(F)F)cc(Cl)n2)CCO1
InChIInChI=1S/C11H12ClF3N2O/c1-7-6-17(2-3-18-7)10-5-8(11(13,14)15)4-9(12)16-10/h4-5,7H,2-3,6H2,1H3
InChIKeyRHYPWIMEKAMNDZ-UHFFFAOYSA-N
XLogP2.98
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 52.98
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]-2-methylmorpholine?
The IUPAC name of 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine (CID 102715413) is 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine.
What is the SMILES notation for 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine?
The canonical SMILES for 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine is CC1CN(c2cc(C(F)(F)F)cc(Cl)n2)CCO1.
What is the InChIKey of 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine?
The InChIKey is RHYPWIMEKAMNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O/c1-7-6-17(2-3-18-7)10-5-8(11(13,14)15)4-9(12)16-10/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine?
4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine has a molecular weight of 280.68 g/mol, XLogP of 2.98, 1 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]-2-methylmorpholine is sourced from PubChem (CID 102715413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).