4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2,6-dimethylmorpholine

C12H14ClF3N2O — CID 102715412

IUPAC4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2,6-dimethylmorpholine
SMILESCC1CN(c2cc(C(F)(F)F)cc(Cl)n2)CC(C)O1
InChIInChI=1S/C12H14ClF3N2O/c1-7-5-18(6-8(2)19-7)11-4-9(12(14,15)16)3-10(13)17-11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyRWNYDGLMSNRYAR-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.37
Rot. Bonds1

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

4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2,6-dimethylmorpholine (PubChem CID 102715412) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2,6-dimethylmorpholine
PubChem CID102715412
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2,6-dimethylmorpholine
SMILESCC1CN(c2cc(C(F)(F)F)cc(Cl)n2)CC(C)O1
InChIInChI=1S/C12H14ClF3N2O/c1-7-5-18(6-8(2)19-7)11-4-9(12(14,15)16)3-10(13)17-11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyRWNYDGLMSNRYAR-UHFFFAOYSA-N
XLogP3.37
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.37
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]-2,6-dimethylmorpholine?
The IUPAC name of 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2,6-dimethylmorpholine (CID 102715412) is 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2,6-dimethylmorpholine is CC1CN(c2cc(C(F)(F)F)cc(Cl)n2)CC(C)O1.
What is the InChIKey of 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2,6-dimethylmorpholine?
The InChIKey is RWNYDGLMSNRYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-7-5-18(6-8(2)19-7)11-4-9(12(14,15)16)3-10(13)17-11/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2,6-dimethylmorpholine?
4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2,6-dimethylmorpholine has a molecular weight of 294.70 g/mol, XLogP of 3.37, 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]-2,6-dimethylmorpholine is sourced from PubChem (CID 102715412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).