2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,5-difluoro-4,6-dihydrocyclopenta[c]pyrazol-4-ol

C13H7Cl2F5N2O — CID 18614778

IUPAC2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,5-difluoro-4,6-dihydrocyclopenta[c]pyrazol-4-ol
SMILESOC1c2cn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2CC1(F)F
InChIInChI=1S/C13H7Cl2F5N2O/c14-7-1-5(13(18,19)20)2-8(15)10(7)22-4-6-9(21-22)3-12(16,17)11(6)23/h1-2,4,11,23H,3H2
InChIKeyPNFSWZSNVKBBBC-UHFFFAOYSA-N
MW373.11 g/mol
LogP4.42
Rot. Bonds1

About 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,5-difluoro-4,6-dihydrocyclopenta[c]pyrazol-4-ol

2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,5-difluoro-4,6-dihydrocyclopenta[c]pyrazol-4-ol (PubChem CID 18614778) has the molecular formula C13H7Cl2F5N2O and a molecular weight of 373.11 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,5-difluoro-4,6-dihydrocyclopenta[c]pyrazol-4-ol.

Molecular Properties

Compound Name2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,5-difluoro-4,6-dihydrocyclopenta[c]pyrazol-4-ol
PubChem CID18614778
Molecular FormulaC13H7Cl2F5N2O
Molecular Weight373.11 g/mol
Exact Mass371.99
IUPAC Name2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,5-difluoro-4,6-dihydrocyclopenta[c]pyrazol-4-ol
SMILESOC1c2cn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2CC1(F)F
InChIInChI=1S/C13H7Cl2F5N2O/c14-7-1-5(13(18,19)20)2-8(15)10(7)22-4-6-9(21-22)3-12(16,17)11(6)23/h1-2,4,11,23H,3H2
InChIKeyPNFSWZSNVKBBBC-UHFFFAOYSA-N
XLogP4.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.11
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,5-difluoro-4-methylsulfanyl-4,6-dihydrocyclopenta[c]pyrazole
CID 18614774
4-chloro-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 18614754
4-cyclopropyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
CID 18699453
4-(6-bicyclo[3.1.0]hexanyl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
CID 18780726
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-4-methyl-5H-cyclopenta[c]pyrazol-4-ol
CID 18614786
4-bromo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole
CID 14402643
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carbonyl chloride
CID 141466675
[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 19778386
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine
CID 154465784
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(1,2,2-trichloroethenyl)pyrazole-3-carbonitrile
CID 21188092
methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 14280199
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-3-(trifluoromethyl)pyrazole
CID 22618556

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,5-difluoro-4,6-dihydrocyclopenta[c]pyrazol-4-ol?
The IUPAC name of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,5-difluoro-4,6-dihydrocyclopenta[c]pyrazol-4-ol (CID 18614778) is 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,5-difluoro-4,6-dihydrocyclopenta[c]pyrazol-4-ol.
What is the SMILES notation for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,5-difluoro-4,6-dihydrocyclopenta[c]pyrazol-4-ol?
The canonical SMILES for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,5-difluoro-4,6-dihydrocyclopenta[c]pyrazol-4-ol is OC1c2cn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2CC1(F)F.
What is the InChIKey of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,5-difluoro-4,6-dihydrocyclopenta[c]pyrazol-4-ol?
The InChIKey is PNFSWZSNVKBBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F5N2O/c14-7-1-5(13(18,19)20)2-8(15)10(7)22-4-6-9(21-22)3-12(16,17)11(6)23/h1-2,4,11,23H,3H2.
What are the key properties of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,5-difluoro-4,6-dihydrocyclopenta[c]pyrazol-4-ol?
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,5-difluoro-4,6-dihydrocyclopenta[c]pyrazol-4-ol has a molecular weight of 373.11 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,5-difluoro-4,6-dihydrocyclopenta[c]pyrazol-4-ol is sourced from PubChem (CID 18614778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).