1-(4-fluoro-3-hydroxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one

C14H10F4N2O2 — CID 170431788

IUPAC1-(4-fluoro-3-hydroxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one
SMILESO=C1CCCc2c(C(F)(F)F)nn(-c3ccc(F)c(O)c3)c21
InChIInChI=1S/C14H10F4N2O2/c15-9-5-4-7(6-11(9)22)20-12-8(2-1-3-10(12)21)13(19-20)14(16,17)18/h4-6,22H,1-3H2
InChIKeyCFMQXJWZRBVHJB-UHFFFAOYSA-N
MW314.24 g/mol
LogP3.25
Rot. Bonds1

About 1-(4-fluoro-3-hydroxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one

1-(4-fluoro-3-hydroxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one (PubChem CID 170431788) has the molecular formula C14H10F4N2O2 and a molecular weight of 314.24 g/mol. Its IUPAC name is 1-(4-fluoro-3-hydroxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one.

Molecular Properties

Compound Name1-(4-fluoro-3-hydroxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one
PubChem CID170431788
Molecular FormulaC14H10F4N2O2
Molecular Weight314.24 g/mol
Exact Mass314.07
IUPAC Name1-(4-fluoro-3-hydroxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one
SMILESO=C1CCCc2c(C(F)(F)F)nn(-c3ccc(F)c(O)c3)c21
InChIInChI=1S/C14H10F4N2O2/c15-9-5-4-7(6-11(9)22)20-12-8(2-1-3-10(12)21)13(19-20)14(16,17)18/h4-6,22H,1-3H2
InChIKeyCFMQXJWZRBVHJB-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-hydroxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one?
The IUPAC name of 1-(4-fluoro-3-hydroxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one (CID 170431788) is 1-(4-fluoro-3-hydroxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one.
What is the SMILES notation for 1-(4-fluoro-3-hydroxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one?
The canonical SMILES for 1-(4-fluoro-3-hydroxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one is O=C1CCCc2c(C(F)(F)F)nn(-c3ccc(F)c(O)c3)c21.
What is the InChIKey of 1-(4-fluoro-3-hydroxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one?
The InChIKey is CFMQXJWZRBVHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2O2/c15-9-5-4-7(6-11(9)22)20-12-8(2-1-3-10(12)21)13(19-20)14(16,17)18/h4-6,22H,1-3H2.
What are the key properties of 1-(4-fluoro-3-hydroxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one?
1-(4-fluoro-3-hydroxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one has a molecular weight of 314.24 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-hydroxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one is sourced from PubChem (CID 170431788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).