2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-4,6-dimethoxy-1,3,5-triazine

C16H11Cl2F4N5O3 — CID 11762415

IUPAC2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(Oc2cc(-c3nn(C)c(C(F)(F)F)c3Cl)c(F)cc2Cl)n1
InChIInChI=1S/C16H11Cl2F4N5O3/c1-27-12(16(20,21)22)10(18)11(26-27)6-4-9(7(17)5-8(6)19)30-15-24-13(28-2)23-14(25-15)29-3/h4-5H,1-3H3
InChIKeyUSTNGLAUTFNEAT-UHFFFAOYSA-N
MW468.19 g/mol
LogP4.55
Rot. Bonds5

About 2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-4,6-dimethoxy-1,3,5-triazine

2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-4,6-dimethoxy-1,3,5-triazine (PubChem CID 11762415) has the molecular formula C16H11Cl2F4N5O3 and a molecular weight of 468.19 g/mol. Its IUPAC name is 2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-4,6-dimethoxy-1,3,5-triazine
PubChem CID11762415
Molecular FormulaC16H11Cl2F4N5O3
Molecular Weight468.19 g/mol
Exact Mass467.02
IUPAC Name2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(Oc2cc(-c3nn(C)c(C(F)(F)F)c3Cl)c(F)cc2Cl)n1
InChIInChI=1S/C16H11Cl2F4N5O3/c1-27-12(16(20,21)22)10(18)11(26-27)6-4-9(7(17)5-8(6)19)30-15-24-13(28-2)23-14(25-15)29-3/h4-5H,1-3H3
InChIKeyUSTNGLAUTFNEAT-UHFFFAOYSA-N
XLogP4.55
TPSA84.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.19
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-Chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methyl-1H-pyrazole
CID 22392595
4-Chloro-3-[4-chloro-2-fluoro-5-(4-methoxybut-2-ynoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole
CID 11407189
4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(1-methylethyl)-5-(trifluoromethyl)-1H-pyrazole
CID 15278581
4-Chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole
CID 15390078
1-Methyl-3-(2-fluoro-4-chloro-5-methoxyphenyl)-5-trifluoromethyl-1H-pyrazole
CID 15525676
4-Chloro-3-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
CID 15672198
4-Chloro-3-[4-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole
CID 15672199
5-Chloro-4-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]-6-(difluoromethyl)pyrimidine
CID 17856510
5-Chloro-4-(4-chloro-2-fluoro-5-methoxyphenyl)-6-trifluoromethylpyrimidine
CID 17856519
4-(4-Chloro-2-fluoro-5-methoxyphenyl)-5-methyl-6-(trifluoromethyl)pyrimidine
CID 17856624
5-Chloro-4-(4-chloro-2-fluoro-5-methoxyphenyl)-6-(difluoromethyl)pyrimidine
CID 17856645
3-[2-Chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 17901703

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-4,6-dimethoxy-1,3,5-triazine (CID 11762415) is 2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-4,6-dimethoxy-1,3,5-triazine is COc1nc(OC)nc(Oc2cc(-c3nn(C)c(C(F)(F)F)c3Cl)c(F)cc2Cl)n1.
What is the InChIKey of 2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is USTNGLAUTFNEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F4N5O3/c1-27-12(16(20,21)22)10(18)11(26-27)6-4-9(7(17)5-8(6)19)30-15-24-13(28-2)23-14(25-15)29-3/h4-5H,1-3H3.
What are the key properties of 2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-4,6-dimethoxy-1,3,5-triazine?
2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 468.19 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 11762415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).