5-[5-[4-(difluoromethyl)phenyl]indazol-1-yl]-2-fluorophenol

C20H13F3N2O — CID 163234352

IUPAC5-[5-[4-(difluoromethyl)phenyl]indazol-1-yl]-2-fluorophenol
SMILESOc1cc(-n2ncc3cc(-c4ccc(C(F)F)cc4)ccc32)ccc1F
InChIInChI=1S/C20H13F3N2O/c21-17-7-6-16(10-19(17)26)25-18-8-5-14(9-15(18)11-24-25)12-1-3-13(4-2-12)20(22)23/h1-11,20,26H
InChIKeyWWHHHGRGFUALBF-UHFFFAOYSA-N
MW354.33 g/mol
LogP5.47
Rot. Bonds3

About 5-[5-[4-(difluoromethyl)phenyl]indazol-1-yl]-2-fluorophenol

5-[5-[4-(difluoromethyl)phenyl]indazol-1-yl]-2-fluorophenol (PubChem CID 163234352) has the molecular formula C20H13F3N2O and a molecular weight of 354.33 g/mol. Its IUPAC name is 5-[5-[4-(difluoromethyl)phenyl]indazol-1-yl]-2-fluorophenol.

Molecular Properties

Compound Name5-[5-[4-(difluoromethyl)phenyl]indazol-1-yl]-2-fluorophenol
PubChem CID163234352
Molecular FormulaC20H13F3N2O
Molecular Weight354.33 g/mol
Exact Mass354.10
IUPAC Name5-[5-[4-(difluoromethyl)phenyl]indazol-1-yl]-2-fluorophenol
SMILESOc1cc(-n2ncc3cc(-c4ccc(C(F)F)cc4)ccc32)ccc1F
InChIInChI=1S/C20H13F3N2O/c21-17-7-6-16(10-19(17)26)25-18-8-5-14(9-15(18)11-24-25)12-1-3-13(4-2-12)20(22)23/h1-11,20,26H
InChIKeyWWHHHGRGFUALBF-UHFFFAOYSA-N
XLogP5.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.33
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(difluoromethyl)phenyl]indazol-1-yl]-2-fluorophenol?
The IUPAC name of 5-[5-[4-(difluoromethyl)phenyl]indazol-1-yl]-2-fluorophenol (CID 163234352) is 5-[5-[4-(difluoromethyl)phenyl]indazol-1-yl]-2-fluorophenol.
What is the SMILES notation for 5-[5-[4-(difluoromethyl)phenyl]indazol-1-yl]-2-fluorophenol?
The canonical SMILES for 5-[5-[4-(difluoromethyl)phenyl]indazol-1-yl]-2-fluorophenol is Oc1cc(-n2ncc3cc(-c4ccc(C(F)F)cc4)ccc32)ccc1F.
What is the InChIKey of 5-[5-[4-(difluoromethyl)phenyl]indazol-1-yl]-2-fluorophenol?
The InChIKey is WWHHHGRGFUALBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O/c21-17-7-6-16(10-19(17)26)25-18-8-5-14(9-15(18)11-24-25)12-1-3-13(4-2-12)20(22)23/h1-11,20,26H.
What are the key properties of 5-[5-[4-(difluoromethyl)phenyl]indazol-1-yl]-2-fluorophenol?
5-[5-[4-(difluoromethyl)phenyl]indazol-1-yl]-2-fluorophenol has a molecular weight of 354.33 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(difluoromethyl)phenyl]indazol-1-yl]-2-fluorophenol is sourced from PubChem (CID 163234352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).