6-[(1S,2S)-2-ethylcyclopropyl]-5-fluoro-1-(2,2,2-trifluoroethyl)indazole

C14H14F4N2 — CID 166827272

IUPAC6-[(1S,2S)-2-ethylcyclopropyl]-5-fluoro-1-(2,2,2-trifluoroethyl)indazole
SMILESCC[C@H]1C[C@@H]1c1cc2c(cnn2CC(F)(F)F)cc1F
InChIInChI=1S/C14H14F4N2/c1-2-8-3-10(8)11-5-13-9(4-12(11)15)6-19-20(13)7-14(16,17)18/h4-6,8,10H,2-3,7H2,1H3/t8-,10-/m0/s1
InChIKeyLOBYTWOTVJDHJB-WPRPVWTQSA-N
MW286.27 g/mol
LogP4.25
Rot. Bonds3

About 6-[(1S,2S)-2-ethylcyclopropyl]-5-fluoro-1-(2,2,2-trifluoroethyl)indazole

6-[(1S,2S)-2-ethylcyclopropyl]-5-fluoro-1-(2,2,2-trifluoroethyl)indazole (PubChem CID 166827272) has the molecular formula C14H14F4N2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 6-[(1S,2S)-2-ethylcyclopropyl]-5-fluoro-1-(2,2,2-trifluoroethyl)indazole.

Molecular Properties

Compound Name6-[(1S,2S)-2-ethylcyclopropyl]-5-fluoro-1-(2,2,2-trifluoroethyl)indazole
PubChem CID166827272
Molecular FormulaC14H14F4N2
Molecular Weight286.27 g/mol
Exact Mass286.11
IUPAC Name6-[(1S,2S)-2-ethylcyclopropyl]-5-fluoro-1-(2,2,2-trifluoroethyl)indazole
SMILESCC[C@H]1C[C@@H]1c1cc2c(cnn2CC(F)(F)F)cc1F
InChIInChI=1S/C14H14F4N2/c1-2-8-3-10(8)11-5-13-9(4-12(11)15)6-19-20(13)7-14(16,17)18/h4-6,8,10H,2-3,7H2,1H3/t8-,10-/m0/s1
InChIKeyLOBYTWOTVJDHJB-WPRPVWTQSA-N
XLogP4.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[(1S,2S)-2-ethylcyclopropyl]-5-fluoro-1-(2,2,2-trifluoroethyl)indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(1S,2S)-2-ethylcyclopropyl]-5-fluoro-1-(2,2,2-trifluoroethyl)indazole?
The IUPAC name of 6-[(1S,2S)-2-ethylcyclopropyl]-5-fluoro-1-(2,2,2-trifluoroethyl)indazole (CID 166827272) is 6-[(1S,2S)-2-ethylcyclopropyl]-5-fluoro-1-(2,2,2-trifluoroethyl)indazole.
What is the SMILES notation for 6-[(1S,2S)-2-ethylcyclopropyl]-5-fluoro-1-(2,2,2-trifluoroethyl)indazole?
The canonical SMILES for 6-[(1S,2S)-2-ethylcyclopropyl]-5-fluoro-1-(2,2,2-trifluoroethyl)indazole is CC[C@H]1C[C@@H]1c1cc2c(cnn2CC(F)(F)F)cc1F.
What is the InChIKey of 6-[(1S,2S)-2-ethylcyclopropyl]-5-fluoro-1-(2,2,2-trifluoroethyl)indazole?
The InChIKey is LOBYTWOTVJDHJB-WPRPVWTQSA-N. The full InChI is InChI=1S/C14H14F4N2/c1-2-8-3-10(8)11-5-13-9(4-12(11)15)6-19-20(13)7-14(16,17)18/h4-6,8,10H,2-3,7H2,1H3/t8-,10-/m0/s1.
What are the key properties of 6-[(1S,2S)-2-ethylcyclopropyl]-5-fluoro-1-(2,2,2-trifluoroethyl)indazole?
6-[(1S,2S)-2-ethylcyclopropyl]-5-fluoro-1-(2,2,2-trifluoroethyl)indazole has a molecular weight of 286.27 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S,2S)-2-ethylcyclopropyl]-5-fluoro-1-(2,2,2-trifluoroethyl)indazole is sourced from PubChem (CID 166827272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).