2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,5-dimethyltriazole;N-methylmethanamine

C13H15Cl2F3N4 — CID 19988896

IUPAC2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,5-dimethyltriazole;N-methylmethanamine
SMILESCNC.Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1C
InChIInChI=1S/C11H8Cl2F3N3.C2H7N/c1-5-6(2)18-19(17-5)10-8(12)3-7(4-9(10)13)11(14,15)16;1-3-2/h3-4H,1-2H3;3H,1-2H3
InChIKeyWTPIVRSBUBJIJL-UHFFFAOYSA-N
MW355.19 g/mol
LogP4.05
Rot. Bonds1

About 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,5-dimethyltriazole;N-methylmethanamine

2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,5-dimethyltriazole;N-methylmethanamine (PubChem CID 19988896) has the molecular formula C13H15Cl2F3N4 and a molecular weight of 355.19 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,5-dimethyltriazole;N-methylmethanamine.

Molecular Properties

Compound Name2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,5-dimethyltriazole;N-methylmethanamine
PubChem CID19988896
Molecular FormulaC13H15Cl2F3N4
Molecular Weight355.19 g/mol
Exact Mass354.06
IUPAC Name2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,5-dimethyltriazole;N-methylmethanamine
SMILESCNC.Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1C
InChIInChI=1S/C11H8Cl2F3N3.C2H7N/c1-5-6(2)18-19(17-5)10-8(12)3-7(4-9(10)13)11(14,15)16;1-3-2/h3-4H,1-2H3;3H,1-2H3
InChIKeyWTPIVRSBUBJIJL-UHFFFAOYSA-N
XLogP4.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)triazole-4-carbaldehyde
CID 19778414
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethenyl-3,5-dimethylpyrazole
CID 21188130
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrazolo[4,5-b]pyridine
CID 15277999
4-(2-bromoethynyl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methylpyrazole
CID 21188138
3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-one
CID 19821793
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazole-4-carboxylic acid
CID 54173610
5-tert-butyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
CID 145474063
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methylhydrazine
CID 142056538
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-3-(trifluoromethyl)pyrazole
CID 22618556
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 10110800
N-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methylidene]hydroxylamine
CID 154110999
[2,6-dichloro-4-(trifluoromethyl)phenyl]-trimethylsilane
CID 11514753

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,5-dimethyltriazole;N-methylmethanamine?
The IUPAC name of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,5-dimethyltriazole;N-methylmethanamine (CID 19988896) is 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,5-dimethyltriazole;N-methylmethanamine.
What is the SMILES notation for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,5-dimethyltriazole;N-methylmethanamine?
The canonical SMILES for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,5-dimethyltriazole;N-methylmethanamine is CNC.Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1C.
What is the InChIKey of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,5-dimethyltriazole;N-methylmethanamine?
The InChIKey is WTPIVRSBUBJIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3N3.C2H7N/c1-5-6(2)18-19(17-5)10-8(12)3-7(4-9(10)13)11(14,15)16;1-3-2/h3-4H,1-2H3;3H,1-2H3.
What are the key properties of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,5-dimethyltriazole;N-methylmethanamine?
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,5-dimethyltriazole;N-methylmethanamine has a molecular weight of 355.19 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,5-dimethyltriazole;N-methylmethanamine is sourced from PubChem (CID 19988896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).