N,N-diethyl-6-(3-fluorophenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine

C15H14F7N3O — CID 567794

IUPACN,N-diethyl-6-(3-fluorophenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine
SMILESCCN(CC)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2cccc(F)c2)O1
InChIInChI=1S/C15H14F7N3O/c1-3-25(4-2)12-24-13(14(17,18)19,15(20,21)22)23-11(26-12)9-6-5-7-10(16)8-9/h5-8H,3-4H2,1-2H3
InChIKeyRSWFKPOMFXSDIY-UHFFFAOYSA-N
MW385.28 g/mol
LogP4.12
Rot. Bonds3

About N,N-diethyl-6-(3-fluorophenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine

N,N-diethyl-6-(3-fluorophenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine (PubChem CID 567794) has the molecular formula C15H14F7N3O and a molecular weight of 385.28 g/mol. Its IUPAC name is N,N-diethyl-6-(3-fluorophenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-6-(3-fluorophenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine
PubChem CID567794
Molecular FormulaC15H14F7N3O
Molecular Weight385.28 g/mol
Exact Mass385.10
IUPAC NameN,N-diethyl-6-(3-fluorophenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine
SMILESCCN(CC)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2cccc(F)c2)O1
InChIInChI=1S/C15H14F7N3O/c1-3-25(4-2)12-24-13(14(17,18)19,15(20,21)22)23-11(26-12)9-6-5-7-10(16)8-9/h5-8H,3-4H2,1-2H3
InChIKeyRSWFKPOMFXSDIY-UHFFFAOYSA-N
XLogP4.12
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.28
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-(3-fluorophenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The IUPAC name of N,N-diethyl-6-(3-fluorophenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine (CID 567794) is N,N-diethyl-6-(3-fluorophenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine.
What is the SMILES notation for N,N-diethyl-6-(3-fluorophenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The canonical SMILES for N,N-diethyl-6-(3-fluorophenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine is CCN(CC)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2cccc(F)c2)O1.
What is the InChIKey of N,N-diethyl-6-(3-fluorophenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The InChIKey is RSWFKPOMFXSDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F7N3O/c1-3-25(4-2)12-24-13(14(17,18)19,15(20,21)22)23-11(26-12)9-6-5-7-10(16)8-9/h5-8H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-6-(3-fluorophenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
N,N-diethyl-6-(3-fluorophenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine has a molecular weight of 385.28 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-(3-fluorophenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine is sourced from PubChem (CID 567794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).