3-fluoro-1-(2,2,2-trifluoroethyl)indazole

C9H6F4N2 — CID 157032549

IUPAC3-fluoro-1-(2,2,2-trifluoroethyl)indazole
SMILESFc1nn(CC(F)(F)F)c2ccccc12
InChIInChI=1S/C9H6F4N2/c10-8-6-3-1-2-4-7(6)15(14-8)5-9(11,12)13/h1-4H,5H2
InChIKeyFRFVBRCYVUGJGL-UHFFFAOYSA-N
MW218.15 g/mol
LogP2.74
Rot. Bonds1

About 3-fluoro-1-(2,2,2-trifluoroethyl)indazole

3-fluoro-1-(2,2,2-trifluoroethyl)indazole (PubChem CID 157032549) has the molecular formula C9H6F4N2 and a molecular weight of 218.15 g/mol. Its IUPAC name is 3-fluoro-1-(2,2,2-trifluoroethyl)indazole.

Molecular Properties

Compound Name3-fluoro-1-(2,2,2-trifluoroethyl)indazole
PubChem CID157032549
Molecular FormulaC9H6F4N2
Molecular Weight218.15 g/mol
Exact Mass218.05
IUPAC Name3-fluoro-1-(2,2,2-trifluoroethyl)indazole
SMILESFc1nn(CC(F)(F)F)c2ccccc12
InChIInChI=1S/C9H6F4N2/c10-8-6-3-1-2-4-7(6)15(14-8)5-9(11,12)13/h1-4H,5H2
InChIKeyFRFVBRCYVUGJGL-UHFFFAOYSA-N
XLogP2.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1,3-dioxo-4,5-dihydroisoindol-2-yl) (2S)-2-methylcyclopropane-1-carboxylate;3-fluoro-1-(2,2,2-trifluoroethyl)indazole
CID 157033509
5-(8-cyclopropyl-3-fluoroimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;ethane;3-fluoro-1-(2,2,2-trifluoroethyl)indazole
CID 157032829
1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid
CID 64566513
6-chloro-8-cyclopropylimidazo[1,2-b]pyridazine;3-chloro-1-(2,2,2-trifluoroethyl)indazole
CID 157035100
5-bromo-1-(2,2,2-trifluoroethyl)indazole-3-carboxylic acid
CID 67230679
4-[(2-methylpyrimidin-4-yl)amino]-2-[1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrimidin-5-ol
CID 137177870
3-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)indole
CID 84819945
2,2,2-trifluoroethyl 3-[3-(4-fluorophenyl)indazol-1-yl]-2,2-dimethylpropanoate
CID 175877600
6-chloro-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine
CID 157033828
1-[3-(2,2,2-trifluoroethoxy)propyl]indazole-3-carboxylic acid
CID 63106484
2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine
CID 112567902
2,2,2-trifluoroethyl 3-[3-(4-tert-butylphenyl)indazol-1-yl]-2,2-dimethylpropanoate
CID 175877757

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2,2,2-trifluoroethyl)indazole?
The IUPAC name of 3-fluoro-1-(2,2,2-trifluoroethyl)indazole (CID 157032549) is 3-fluoro-1-(2,2,2-trifluoroethyl)indazole.
What is the SMILES notation for 3-fluoro-1-(2,2,2-trifluoroethyl)indazole?
The canonical SMILES for 3-fluoro-1-(2,2,2-trifluoroethyl)indazole is Fc1nn(CC(F)(F)F)c2ccccc12.
What is the InChIKey of 3-fluoro-1-(2,2,2-trifluoroethyl)indazole?
The InChIKey is FRFVBRCYVUGJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4N2/c10-8-6-3-1-2-4-7(6)15(14-8)5-9(11,12)13/h1-4H,5H2.
What are the key properties of 3-fluoro-1-(2,2,2-trifluoroethyl)indazole?
3-fluoro-1-(2,2,2-trifluoroethyl)indazole has a molecular weight of 218.15 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2,2,2-trifluoroethyl)indazole is sourced from PubChem (CID 157032549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).