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

C12H14ClF3N2O — CID 102715519

IUPAC4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylmorpholine
SMILESCCC1CN(c2cc(C(F)(F)F)cc(Cl)n2)CCO1
InChIInChI=1S/C12H14ClF3N2O/c1-2-9-7-18(3-4-19-9)11-6-8(12(14,15)16)5-10(13)17-11/h5-6,9H,2-4,7H2,1H3
InChIKeyFSNBOOZDWJWNIS-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.37
Rot. Bonds2

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

4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylmorpholine (PubChem CID 102715519) 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-ethylmorpholine.

Molecular Properties

Compound Name4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylmorpholine
PubChem CID102715519
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylmorpholine
SMILESCCC1CN(c2cc(C(F)(F)F)cc(Cl)n2)CCO1
InChIInChI=1S/C12H14ClF3N2O/c1-2-9-7-18(3-4-19-9)11-6-8(12(14,15)16)5-10(13)17-11/h5-6,9H,2-4,7H2,1H3
InChIKeyFSNBOOZDWJWNIS-UHFFFAOYSA-N
XLogP3.37
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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-ethylmorpholine?
The IUPAC name of 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylmorpholine (CID 102715519) is 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylmorpholine.
What is the SMILES notation for 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylmorpholine?
The canonical SMILES for 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylmorpholine is CCC1CN(c2cc(C(F)(F)F)cc(Cl)n2)CCO1.
What is the InChIKey of 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylmorpholine?
The InChIKey is FSNBOOZDWJWNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-2-9-7-18(3-4-19-9)11-6-8(12(14,15)16)5-10(13)17-11/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylmorpholine?
4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylmorpholine has a molecular weight of 294.70 g/mol, XLogP of 3.37, 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]-2-ethylmorpholine is sourced from PubChem (CID 102715519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).