1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole

C10H5Cl2F3N2 — CID 154211349

IUPAC1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C10H5Cl2F3N2/c11-6-2-1-3-7(12)9(6)17-5-4-8(16-17)10(13,14)15/h1-5H
InChIKeyVKUKCGJREXQYKU-UHFFFAOYSA-N
MW281.06 g/mol
LogP4.20
Rot. Bonds1

About 1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole

1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 154211349) has the molecular formula C10H5Cl2F3N2 and a molecular weight of 281.06 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole
PubChem CID154211349
Molecular FormulaC10H5Cl2F3N2
Molecular Weight281.06 g/mol
Exact Mass279.98
IUPAC Name1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C10H5Cl2F3N2/c11-6-2-1-3-7(12)9(6)17-5-4-8(16-17)10(13,14)15/h1-5H
InChIKeyVKUKCGJREXQYKU-UHFFFAOYSA-N
XLogP4.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.06
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole (CID 154211349) is 1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1ccn(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is VKUKCGJREXQYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F3N2/c11-6-2-1-3-7(12)9(6)17-5-4-8(16-17)10(13,14)15/h1-5H.
What are the key properties of 1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole?
1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 281.06 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 154211349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).