2-[(7R)-7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetic acid

C11H13F3N2O2 — CID 124645160

IUPAC2-[(7R)-7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetic acid
SMILESC[C@@H]1CCCc2c(C(F)(F)F)nn(CC(=O)O)c21
InChIInChI=1S/C11H13F3N2O2/c1-6-3-2-4-7-9(6)16(5-8(17)18)15-10(7)11(12,13)14/h6H,2-5H2,1H3,(H,17,18)/t6-/m1/s1
InChIKeyJEVSALODQBSMJZ-ZCFIWIBFSA-N
MW262.23 g/mol
LogP2.43
Rot. Bonds2

About 2-[(7R)-7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetic acid

2-[(7R)-7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetic acid (PubChem CID 124645160) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[(7R)-7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(7R)-7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetic acid
PubChem CID124645160
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-[(7R)-7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetic acid
SMILESC[C@@H]1CCCc2c(C(F)(F)F)nn(CC(=O)O)c21
InChIInChI=1S/C11H13F3N2O2/c1-6-3-2-4-7-9(6)16(5-8(17)18)15-10(7)11(12,13)14/h6H,2-5H2,1H3,(H,17,18)/t6-/m1/s1
InChIKeyJEVSALODQBSMJZ-ZCFIWIBFSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(7R)-7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetic acid?
The IUPAC name of 2-[(7R)-7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetic acid (CID 124645160) is 2-[(7R)-7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetic acid.
What is the SMILES notation for 2-[(7R)-7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetic acid?
The canonical SMILES for 2-[(7R)-7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetic acid is C[C@@H]1CCCc2c(C(F)(F)F)nn(CC(=O)O)c21.
What is the InChIKey of 2-[(7R)-7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetic acid?
The InChIKey is JEVSALODQBSMJZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-6-3-2-4-7-9(6)16(5-8(17)18)15-10(7)11(12,13)14/h6H,2-5H2,1H3,(H,17,18)/t6-/m1/s1.
What are the key properties of 2-[(7R)-7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetic acid?
2-[(7R)-7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetic acid has a molecular weight of 262.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7R)-7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetic acid is sourced from PubChem (CID 124645160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).