4,6-dichloro-N-[2-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenyl]-1,3,5-triazin-2-amine

C11H6Cl3F3N4O — CID 1376680

IUPAC4,6-dichloro-N-[2-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenyl]-1,3,5-triazin-2-amine
SMILESF[C@H](Cl)C(F)(F)Oc1ccccc1Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H6Cl3F3N4O/c12-7(15)11(16,17)22-6-4-2-1-3-5(6)18-10-20-8(13)19-9(14)21-10/h1-4,7H,(H,18,19,20,21)/t7-/m0/s1
InChIKeyVOPXUXFNEQEFEG-ZETCQYMHSA-N
MW373.55 g/mol
LogP4.43
Rot. Bonds5

About 4,6-dichloro-N-[2-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenyl]-1,3,5-triazin-2-amine

4,6-dichloro-N-[2-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenyl]-1,3,5-triazin-2-amine (PubChem CID 1376680) has the molecular formula C11H6Cl3F3N4O and a molecular weight of 373.55 g/mol. Its IUPAC name is 4,6-dichloro-N-[2-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-[2-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenyl]-1,3,5-triazin-2-amine
PubChem CID1376680
Molecular FormulaC11H6Cl3F3N4O
Molecular Weight373.55 g/mol
Exact Mass371.96
IUPAC Name4,6-dichloro-N-[2-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenyl]-1,3,5-triazin-2-amine
SMILESF[C@H](Cl)C(F)(F)Oc1ccccc1Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H6Cl3F3N4O/c12-7(15)11(16,17)22-6-4-2-1-3-5(6)18-10-20-8(13)19-9(14)21-10/h1-4,7H,(H,18,19,20,21)/t7-/m0/s1
InChIKeyVOPXUXFNEQEFEG-ZETCQYMHSA-N
XLogP4.43
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[2-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-[2-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenyl]-1,3,5-triazin-2-amine (CID 1376680) is 4,6-dichloro-N-[2-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-[2-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-[2-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenyl]-1,3,5-triazin-2-amine is F[C@H](Cl)C(F)(F)Oc1ccccc1Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-[2-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenyl]-1,3,5-triazin-2-amine?
The InChIKey is VOPXUXFNEQEFEG-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H6Cl3F3N4O/c12-7(15)11(16,17)22-6-4-2-1-3-5(6)18-10-20-8(13)19-9(14)21-10/h1-4,7H,(H,18,19,20,21)/t7-/m0/s1.
What are the key properties of 4,6-dichloro-N-[2-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenyl]-1,3,5-triazin-2-amine?
4,6-dichloro-N-[2-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenyl]-1,3,5-triazin-2-amine has a molecular weight of 373.55 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[2-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 1376680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).