3-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole

C10H13F3N2 — CID 142138599

IUPAC3-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole
SMILESCc1c2c(nn1CC(F)(F)F)CCCC2
InChIInChI=1S/C10H13F3N2/c1-7-8-4-2-3-5-9(8)14-15(7)6-10(11,12)13/h2-6H2,1H3
InChIKeySORWMLJNWIULFL-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.63
Rot. Bonds1

About 3-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole

3-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole (PubChem CID 142138599) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name3-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole
PubChem CID142138599
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name3-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole
SMILESCc1c2c(nn1CC(F)(F)F)CCCC2
InChIInChI=1S/C10H13F3N2/c1-7-8-4-2-3-5-9(8)14-15(7)6-10(11,12)13/h2-6H2,1H3
InChIKeySORWMLJNWIULFL-UHFFFAOYSA-N
XLogP2.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 141179063
3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-ol
CID 131141477
4,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole;ethane
CID 169218060
(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
CID 94575228
3-(chloromethyl)-2-ethyl-4,5,6,7-tetrahydroindazole
CID 121214384
5-methyl-4-nitro-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid
CID 19622812
1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole
CID 83414722
N'-hydroxy-3-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]propanimidamide
CID 19614726
2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzotriazole
CID 102454561
2-methyl-6-(2,2,2-trifluoroethyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-amine
CID 83919698
1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butan-2-amine
CID 62730420
3-bromo-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 66509429

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 3-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole (CID 142138599) is 3-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 3-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 3-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole is Cc1c2c(nn1CC(F)(F)F)CCCC2.
What is the InChIKey of 3-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is SORWMLJNWIULFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-7-8-4-2-3-5-9(8)14-15(7)6-10(11,12)13/h2-6H2,1H3.
What are the key properties of 3-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole?
3-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 218.22 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 142138599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).