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

C11H8ClF3N4O — CID 627555

IUPAC4-chloro-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESFC(F)(F)COc1nc(Cl)nc(Nc2ccccc2)n1
InChIInChI=1S/C11H8ClF3N4O/c12-8-17-9(16-7-4-2-1-3-5-7)19-10(18-8)20-6-11(13,14)15/h1-5H,6H2,(H,16,17,18,19)
InChIKeyRCHZIPINSHKMMF-UHFFFAOYSA-N
MW304.66 g/mol
LogP3.21
Rot. Bonds4

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

4-chloro-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 627555) has the molecular formula C11H8ClF3N4O and a molecular weight of 304.66 g/mol. Its IUPAC name is 4-chloro-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID627555
Molecular FormulaC11H8ClF3N4O
Molecular Weight304.66 g/mol
Exact Mass304.03
IUPAC Name4-chloro-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESFC(F)(F)COc1nc(Cl)nc(Nc2ccccc2)n1
InChIInChI=1S/C11H8ClF3N4O/c12-8-17-9(16-7-4-2-1-3-5-7)19-10(18-8)20-6-11(13,14)15/h1-5H,6H2,(H,16,17,18,19)
InChIKeyRCHZIPINSHKMMF-UHFFFAOYSA-N
XLogP3.21
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Melarsen oxide
CID 30830
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diphenyl-
CID 16088
N-Phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine
CID 9714
N-tert-Butyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 744423
4,6-dimethoxy-N-phenyl-1,3,5-triazin-2-amine
CID 35020
6-Chloro-N-isopropyl-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 790766
6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 840843
N-Allyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 3107858
N-methyl-N'-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 2266465
(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-(2-fluoro-phenyl)-amine
CID 784146
(4,6-Diethoxy-[1,3,5]triazin-2-yl)-(2-fluoro-phenyl)-amine
CID 1158964
N,N-diethyl-6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 1381792

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 627555) is 4-chloro-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is FC(F)(F)COc1nc(Cl)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-chloro-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is RCHZIPINSHKMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N4O/c12-8-17-9(16-7-4-2-1-3-5-7)19-10(18-8)20-6-11(13,14)15/h1-5H,6H2,(H,16,17,18,19).
What are the key properties of 4-chloro-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
4-chloro-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 304.66 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 627555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).