1,1,3-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

C23H15F7N2O2 — CID 87725211

IUPAC1,1,3-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESOC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(C(F)F)C(F)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H15F7N2O2/c24-16-4-6-17(7-5-16)32-19-10-3-15(11-13(19)12-31-32)22(33,20(25)26)21(27)34-18-8-1-14(2-9-18)23(28,29)30/h1-12,20-21,33H
InChIKeyKGYSGJGHOLJBMY-UHFFFAOYSA-N
MW484.37 g/mol
LogP6.01
Rot. Bonds6

About 1,1,3-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

1,1,3-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 87725211) has the molecular formula C23H15F7N2O2 and a molecular weight of 484.37 g/mol. Its IUPAC name is 1,1,3-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1,1,3-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID87725211
Molecular FormulaC23H15F7N2O2
Molecular Weight484.37 g/mol
Exact Mass484.10
IUPAC Name1,1,3-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESOC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(C(F)F)C(F)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H15F7N2O2/c24-16-4-6-17(7-5-16)32-19-10-3-15(11-13(19)12-31-32)22(33,20(25)26)21(27)34-18-8-1-14(2-9-18)23(28,29)30/h1-12,20-21,33H
InChIKeyKGYSGJGHOLJBMY-UHFFFAOYSA-N
XLogP6.01
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.37
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1,1,3-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 87725211) is 1,1,3-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1,1,3-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1,1,3-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is OC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(C(F)F)C(F)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1,1,3-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is KGYSGJGHOLJBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F7N2O2/c24-16-4-6-17(7-5-16)32-19-10-3-15(11-13(19)12-31-32)22(33,20(25)26)21(27)34-18-8-1-14(2-9-18)23(28,29)30/h1-12,20-21,33H.
What are the key properties of 1,1,3-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
1,1,3-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 484.37 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 87725211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).