2-(furan-2-yl)-6-phenyl-1-propan-2-yl-4,4-bis(trifluoromethyl)-1,3,5-triazine

C18H15F6N3O — CID 17344430

IUPAC2-(furan-2-yl)-6-phenyl-1-propan-2-yl-4,4-bis(trifluoromethyl)-1,3,5-triazine
SMILESCC(C)N1C(c2ccccc2)=NC(C(F)(F)F)(C(F)(F)F)N=C1c1ccco1
InChIInChI=1S/C18H15F6N3O/c1-11(2)27-14(12-7-4-3-5-8-12)25-16(17(19,20)21,18(22,23)24)26-15(27)13-9-6-10-28-13/h3-11H,1-2H3
InChIKeyNJWXBLMWZGZABX-UHFFFAOYSA-N
MW403.33 g/mol
LogP5.02
Rot. Bonds3

About 2-(furan-2-yl)-6-phenyl-1-propan-2-yl-4,4-bis(trifluoromethyl)-1,3,5-triazine

2-(furan-2-yl)-6-phenyl-1-propan-2-yl-4,4-bis(trifluoromethyl)-1,3,5-triazine (PubChem CID 17344430) has the molecular formula C18H15F6N3O and a molecular weight of 403.33 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-phenyl-1-propan-2-yl-4,4-bis(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(furan-2-yl)-6-phenyl-1-propan-2-yl-4,4-bis(trifluoromethyl)-1,3,5-triazine
PubChem CID17344430
Molecular FormulaC18H15F6N3O
Molecular Weight403.33 g/mol
Exact Mass403.11
IUPAC Name2-(furan-2-yl)-6-phenyl-1-propan-2-yl-4,4-bis(trifluoromethyl)-1,3,5-triazine
SMILESCC(C)N1C(c2ccccc2)=NC(C(F)(F)F)(C(F)(F)F)N=C1c1ccco1
InChIInChI=1S/C18H15F6N3O/c1-11(2)27-14(12-7-4-3-5-8-12)25-16(17(19,20)21,18(22,23)24)26-15(27)13-9-6-10-28-13/h3-11H,1-2H3
InChIKeyNJWXBLMWZGZABX-UHFFFAOYSA-N
XLogP5.02
TPSA41.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.33
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-phenyl-1-propan-2-yl-4,4-bis(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 2-(furan-2-yl)-6-phenyl-1-propan-2-yl-4,4-bis(trifluoromethyl)-1,3,5-triazine (CID 17344430) is 2-(furan-2-yl)-6-phenyl-1-propan-2-yl-4,4-bis(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-(furan-2-yl)-6-phenyl-1-propan-2-yl-4,4-bis(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 2-(furan-2-yl)-6-phenyl-1-propan-2-yl-4,4-bis(trifluoromethyl)-1,3,5-triazine is CC(C)N1C(c2ccccc2)=NC(C(F)(F)F)(C(F)(F)F)N=C1c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-6-phenyl-1-propan-2-yl-4,4-bis(trifluoromethyl)-1,3,5-triazine?
The InChIKey is NJWXBLMWZGZABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6N3O/c1-11(2)27-14(12-7-4-3-5-8-12)25-16(17(19,20)21,18(22,23)24)26-15(27)13-9-6-10-28-13/h3-11H,1-2H3.
What are the key properties of 2-(furan-2-yl)-6-phenyl-1-propan-2-yl-4,4-bis(trifluoromethyl)-1,3,5-triazine?
2-(furan-2-yl)-6-phenyl-1-propan-2-yl-4,4-bis(trifluoromethyl)-1,3,5-triazine has a molecular weight of 403.33 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-phenyl-1-propan-2-yl-4,4-bis(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 17344430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).