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

C13H7Cl2F5N2 — CID 18614745

IUPAC2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-difluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESFC1Cc2cn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2C1F
InChIInChI=1S/C13H7Cl2F5N2/c14-7-2-6(13(18,19)20)3-8(15)12(7)22-4-5-1-9(16)10(17)11(5)21-22/h2-4,9-10H,1H2
InChIKeyPSRFKHITIJTTIS-UHFFFAOYSA-N
MW357.11 g/mol
LogP5.10
Rot. Bonds1

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

2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-difluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 18614745) has the molecular formula C13H7Cl2F5N2 and a molecular weight of 357.11 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-difluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-difluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole
PubChem CID18614745
Molecular FormulaC13H7Cl2F5N2
Molecular Weight357.11 g/mol
Exact Mass355.99
IUPAC Name2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-difluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESFC1Cc2cn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2C1F
InChIInChI=1S/C13H7Cl2F5N2/c14-7-2-6(13(18,19)20)3-8(15)12(7)22-4-5-1-9(16)10(17)11(5)21-22/h2-4,9-10H,1H2
InChIKeyPSRFKHITIJTTIS-UHFFFAOYSA-N
XLogP5.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.11
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-difluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The IUPAC name of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-difluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 18614745) is 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-difluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole.
What is the SMILES notation for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-difluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The canonical SMILES for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-difluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole is FC1Cc2cn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2C1F.
What is the InChIKey of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-difluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The InChIKey is PSRFKHITIJTTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F5N2/c14-7-2-6(13(18,19)20)3-8(15)12(7)22-4-5-1-9(16)10(17)11(5)21-22/h2-4,9-10H,1H2.
What are the key properties of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-difluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole?
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-difluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 357.11 g/mol, XLogP of 5.10, 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]-5,6-difluoro-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 18614745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).