6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-indazole

C16H12F4N2O — CID 141354844

IUPAC6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-indazole
SMILESCOc1cc(CC(F)(F)F)c(-c2ccc3cn[nH]c3c2)cc1F
InChIInChI=1S/C16H12F4N2O/c1-23-15-5-11(7-16(18,19)20)12(6-13(15)17)9-2-3-10-8-21-22-14(10)4-9/h2-6,8H,7H2,1H3,(H,21,22)
InChIKeyJDESCGIBHGRGLO-UHFFFAOYSA-N
MW324.28 g/mol
LogP4.48
Rot. Bonds3

About 6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-indazole

6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-indazole (PubChem CID 141354844) has the molecular formula C16H12F4N2O and a molecular weight of 324.28 g/mol. Its IUPAC name is 6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-indazole.

Molecular Properties

Compound Name6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-indazole
PubChem CID141354844
Molecular FormulaC16H12F4N2O
Molecular Weight324.28 g/mol
Exact Mass324.09
IUPAC Name6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-indazole
SMILESCOc1cc(CC(F)(F)F)c(-c2ccc3cn[nH]c3c2)cc1F
InChIInChI=1S/C16H12F4N2O/c1-23-15-5-11(7-16(18,19)20)12(6-13(15)17)9-2-3-10-8-21-22-14(10)4-9/h2-6,8H,7H2,1H3,(H,21,22)
InChIKeyJDESCGIBHGRGLO-UHFFFAOYSA-N
XLogP4.48
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-6-pyridin-4-yl-1H-indazole
CID 166635017
(6-methoxy-1H-indazol-5-yl)methanamine
CID 117109494
N-[3-(1H-indazol-6-yl)-4-methoxyphenyl]-3-(trifluoromethyl)benzamide
CID 155536159
ethane;6-methoxy-1H-indazole
CID 144719676
3-fluoro-N-(1H-indazol-6-yl)-4-methoxybenzamide
CID 36561598
6-[4-(3,4-difluorophenyl)-2-ethyl-1H-imidazol-5-yl]-1H-indazole
CID 122510760
1-[[5-(2,2,2-trifluoroethyl)-1H-indazol-6-yl]oxy]but-3-en-2-imine
CID 171644919
6-[2-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole
CID 122590119
6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]-1H-indazole
CID 122510894
2-(5-chloro-2-methoxyphenyl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 89401715
6-[4-nitro-2-(trifluoromethyl)phenyl]-1H-indazole
CID 174839288
azane;4-[4-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-5-yl]pyridine
CID 66877602

Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-indazole?
The IUPAC name of 6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-indazole (CID 141354844) is 6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-indazole.
What is the SMILES notation for 6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-indazole?
The canonical SMILES for 6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-indazole is COc1cc(CC(F)(F)F)c(-c2ccc3cn[nH]c3c2)cc1F.
What is the InChIKey of 6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-indazole?
The InChIKey is JDESCGIBHGRGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N2O/c1-23-15-5-11(7-16(18,19)20)12(6-13(15)17)9-2-3-10-8-21-22-14(10)4-9/h2-6,8H,7H2,1H3,(H,21,22).
What are the key properties of 6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-indazole?
6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-indazole has a molecular weight of 324.28 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-1H-indazole is sourced from PubChem (CID 141354844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).