2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,4,5,6-tetrafluoro-5,6-dihydrocyclopenta[c]pyrazole

C13H5Cl2F7N2 — CID 18614747

IUPAC2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,4,5,6-tetrafluoro-5,6-dihydrocyclopenta[c]pyrazole
SMILESFC1c2nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)cc2C(F)(F)C1F
InChIInChI=1S/C13H5Cl2F7N2/c14-6-1-4(13(20,21)22)2-7(15)10(6)24-3-5-9(23-24)8(16)11(17)12(5,18)19/h1-3,8,11H
InChIKeyDMCBSDDMVAXWBM-UHFFFAOYSA-N
MW393.09 g/mol
LogP5.65
Rot. Bonds1

About 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,4,5,6-tetrafluoro-5,6-dihydrocyclopenta[c]pyrazole

2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,4,5,6-tetrafluoro-5,6-dihydrocyclopenta[c]pyrazole (PubChem CID 18614747) has the molecular formula C13H5Cl2F7N2 and a molecular weight of 393.09 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,4,5,6-tetrafluoro-5,6-dihydrocyclopenta[c]pyrazole.

Molecular Properties

Compound Name2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,4,5,6-tetrafluoro-5,6-dihydrocyclopenta[c]pyrazole
PubChem CID18614747
Molecular FormulaC13H5Cl2F7N2
Molecular Weight393.09 g/mol
Exact Mass391.97
IUPAC Name2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,4,5,6-tetrafluoro-5,6-dihydrocyclopenta[c]pyrazole
SMILESFC1c2nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)cc2C(F)(F)C1F
InChIInChI=1S/C13H5Cl2F7N2/c14-6-1-4(13(20,21)22)2-7(15)10(6)24-3-5-9(23-24)8(16)11(17)12(5,18)19/h1-3,8,11H
InChIKeyDMCBSDDMVAXWBM-UHFFFAOYSA-N
XLogP5.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.09
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,4,5,6-tetrafluoro-5,6-dihydrocyclopenta[c]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,4,5,6-tetrafluoro-5,6-dihydrocyclopenta[c]pyrazole?
The IUPAC name of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,4,5,6-tetrafluoro-5,6-dihydrocyclopenta[c]pyrazole (CID 18614747) is 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,4,5,6-tetrafluoro-5,6-dihydrocyclopenta[c]pyrazole.
What is the SMILES notation for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,4,5,6-tetrafluoro-5,6-dihydrocyclopenta[c]pyrazole?
The canonical SMILES for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,4,5,6-tetrafluoro-5,6-dihydrocyclopenta[c]pyrazole is FC1c2nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)cc2C(F)(F)C1F.
What is the InChIKey of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,4,5,6-tetrafluoro-5,6-dihydrocyclopenta[c]pyrazole?
The InChIKey is DMCBSDDMVAXWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl2F7N2/c14-6-1-4(13(20,21)22)2-7(15)10(6)24-3-5-9(23-24)8(16)11(17)12(5,18)19/h1-3,8,11H.
What are the key properties of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,4,5,6-tetrafluoro-5,6-dihydrocyclopenta[c]pyrazole?
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,4,5,6-tetrafluoro-5,6-dihydrocyclopenta[c]pyrazole has a molecular weight of 393.09 g/mol, XLogP of 5.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,4,5,6-tetrafluoro-5,6-dihydrocyclopenta[c]pyrazole is sourced from PubChem (CID 18614747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).