4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine

C11H5ClF6N4O — CID 122641823

IUPAC4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2ccc(C(F)(F)F)cc2Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H5ClF6N4O/c12-5-3-4(10(13,14)15)1-2-6(5)23-9-21-7(11(16,17)18)20-8(19)22-9/h1-3H,(H2,19,20,21,22)
InChIKeyZPTLIRKMAJMFSM-UHFFFAOYSA-N
MW358.63 g/mol
LogP3.94
Rot. Bonds2

About 4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine

4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 122641823) has the molecular formula C11H5ClF6N4O and a molecular weight of 358.63 g/mol. Its IUPAC name is 4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID122641823
Molecular FormulaC11H5ClF6N4O
Molecular Weight358.63 g/mol
Exact Mass358.01
IUPAC Name4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2ccc(C(F)(F)F)cc2Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H5ClF6N4O/c12-5-3-4(10(13,14)15)1-2-6(5)23-9-21-7(11(16,17)18)20-8(19)22-9/h1-3H,(H2,19,20,21,22)
InChIKeyZPTLIRKMAJMFSM-UHFFFAOYSA-N
XLogP3.94
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.63
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-Chloro-4-(trifluoromethyl)phenoxy]-6-methyl-1,3,5-triazin-2-amine
CID 122641806
4-(2,6-Dichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 122641810
4-(2,4,6-Trichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 122641818
4-(2-Chlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 122641820
6-(3-Chloro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 21800778
2-[(E)-2-(3-chloro-4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 22237119
2-[2-(3-Chloro-4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 57293597
4-(2-Chlorophenoxy)-6-methyl-1,3,5-triazin-2-amine
CID 122641824
6-[[3-Chloro-4-(2-methylpropoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine
CID 27373940
2,4-Dichloro-6-(2-chloro-4-methylphenoxy)-1,3,5-triazine
CID 62857422
4-chloro-6-(2-chloro-4-methylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
CID 62868301
4-(2-chloro-4-methylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80878620

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 122641823) is 4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine is Nc1nc(Oc2ccc(C(F)(F)F)cc2Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is ZPTLIRKMAJMFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF6N4O/c12-5-3-4(10(13,14)15)1-2-6(5)23-9-21-7(11(16,17)18)20-8(19)22-9/h1-3H,(H2,19,20,21,22).
What are the key properties of 4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 358.63 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 122641823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).