2-(3-fluorophenyl)-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine

C16H14F7N3O — CID 574402

IUPAC2-(3-fluorophenyl)-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
SMILESFc1cccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C(N3CCCCC3)O2)c1
InChIInChI=1S/C16H14F7N3O/c17-11-6-4-5-10(9-11)12-24-14(15(18,19)20,16(21,22)23)25-13(27-12)26-7-2-1-3-8-26/h4-6,9H,1-3,7-8H2
InChIKeyXXEBFRUMPVAZAG-UHFFFAOYSA-N
MW397.29 g/mol
LogP4.27
Rot. Bonds1

About 2-(3-fluorophenyl)-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine

2-(3-fluorophenyl)-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine (PubChem CID 574402) has the molecular formula C16H14F7N3O and a molecular weight of 397.29 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
PubChem CID574402
Molecular FormulaC16H14F7N3O
Molecular Weight397.29 g/mol
Exact Mass397.10
IUPAC Name2-(3-fluorophenyl)-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
SMILESFc1cccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C(N3CCCCC3)O2)c1
InChIInChI=1S/C16H14F7N3O/c17-11-6-4-5-10(9-11)12-24-14(15(18,19)20,16(21,22)23)25-13(27-12)26-7-2-1-3-8-26/h4-6,9H,1-3,7-8H2
InChIKeyXXEBFRUMPVAZAG-UHFFFAOYSA-N
XLogP4.27
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
The IUPAC name of 2-(3-fluorophenyl)-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine (CID 574402) is 2-(3-fluorophenyl)-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine.
What is the SMILES notation for 2-(3-fluorophenyl)-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
The canonical SMILES for 2-(3-fluorophenyl)-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine is Fc1cccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C(N3CCCCC3)O2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
The InChIKey is XXEBFRUMPVAZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F7N3O/c17-11-6-4-5-10(9-11)12-24-14(15(18,19)20,16(21,22)23)25-13(27-12)26-7-2-1-3-8-26/h4-6,9H,1-3,7-8H2.
What are the key properties of 2-(3-fluorophenyl)-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
2-(3-fluorophenyl)-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine has a molecular weight of 397.29 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine is sourced from PubChem (CID 574402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).