4-chloro-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole

C13H8Cl3F3N2 — CID 18614754

IUPAC4-chloro-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESFC(F)(F)c1cc(Cl)c(-n2cc3c(n2)CCC3Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl3F3N2/c14-8-1-2-11-7(8)5-21(20-11)12-9(15)3-6(4-10(12)16)13(17,18)19/h3-5,8H,1-2H2
InChIKeyGPGACSDRHVLVNA-UHFFFAOYSA-N
MW355.57 g/mol
LogP5.42
Rot. Bonds1

About 4-chloro-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole

4-chloro-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 18614754) has the molecular formula C13H8Cl3F3N2 and a molecular weight of 355.57 g/mol. Its IUPAC name is 4-chloro-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name4-chloro-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
PubChem CID18614754
Molecular FormulaC13H8Cl3F3N2
Molecular Weight355.57 g/mol
Exact Mass353.97
IUPAC Name4-chloro-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESFC(F)(F)c1cc(Cl)c(-n2cc3c(n2)CCC3Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl3F3N2/c14-8-1-2-11-7(8)5-21(20-11)12-9(15)3-6(4-10(12)16)13(17,18)19/h3-5,8H,1-2H2
InChIKeyGPGACSDRHVLVNA-UHFFFAOYSA-N
XLogP5.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The IUPAC name of 4-chloro-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 18614754) is 4-chloro-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole.
What is the SMILES notation for 4-chloro-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The canonical SMILES for 4-chloro-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole is FC(F)(F)c1cc(Cl)c(-n2cc3c(n2)CCC3Cl)c(Cl)c1.
What is the InChIKey of 4-chloro-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The InChIKey is GPGACSDRHVLVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3F3N2/c14-8-1-2-11-7(8)5-21(20-11)12-9(15)3-6(4-10(12)16)13(17,18)19/h3-5,8H,1-2H2.
What are the key properties of 4-chloro-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
4-chloro-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 355.57 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 18614754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).