4-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]morpholine

C13H15F3N2O — CID 166636783

IUPAC4-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]morpholine
SMILESFC(F)(F)C1(c2cccc(N3CCOCC3)n2)CC1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)12(4-5-12)10-2-1-3-11(17-10)18-6-8-19-9-7-18/h1-3H,4-9H2
InChIKeyJWJZWOZEGGQVCD-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.51
Rot. Bonds2

About 4-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]morpholine

4-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]morpholine (PubChem CID 166636783) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 4-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]morpholine
PubChem CID166636783
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name4-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]morpholine
SMILESFC(F)(F)C1(c2cccc(N3CCOCC3)n2)CC1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)12(4-5-12)10-2-1-3-11(17-10)18-6-8-19-9-7-18/h1-3H,4-9H2
InChIKeyJWJZWOZEGGQVCD-UHFFFAOYSA-N
XLogP2.51
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]morpholine (CID 166636783) is 4-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]morpholine is FC(F)(F)C1(c2cccc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]morpholine?
The InChIKey is JWJZWOZEGGQVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)12(4-5-12)10-2-1-3-11(17-10)18-6-8-19-9-7-18/h1-3H,4-9H2.
What are the key properties of 4-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]morpholine?
4-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]morpholine has a molecular weight of 272.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]morpholine is sourced from PubChem (CID 166636783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).