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

C14H15F3N2 — CID 157034963

IUPAC5-[(1S,2S)-2-ethylcyclopropyl]-1-(2,2,2-trifluoroethyl)indazole
SMILESCC[C@H]1C[C@@H]1c1ccc2c(cnn2CC(F)(F)F)c1
InChIInChI=1S/C14H15F3N2/c1-2-9-6-12(9)10-3-4-13-11(5-10)7-18-19(13)8-14(15,16)17/h3-5,7,9,12H,2,6,8H2,1H3/t9-,12-/m0/s1
InChIKeyKYZSOXKSOGICOK-CABZTGNLSA-N
MW268.28 g/mol
LogP4.11
Rot. Bonds3

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

5-[(1S,2S)-2-ethylcyclopropyl]-1-(2,2,2-trifluoroethyl)indazole (PubChem CID 157034963) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-[(1S,2S)-2-ethylcyclopropyl]-1-(2,2,2-trifluoroethyl)indazole.

Molecular Properties

Compound Name5-[(1S,2S)-2-ethylcyclopropyl]-1-(2,2,2-trifluoroethyl)indazole
PubChem CID157034963
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name5-[(1S,2S)-2-ethylcyclopropyl]-1-(2,2,2-trifluoroethyl)indazole
SMILESCC[C@H]1C[C@@H]1c1ccc2c(cnn2CC(F)(F)F)c1
InChIInChI=1S/C14H15F3N2/c1-2-9-6-12(9)10-3-4-13-11(5-10)7-18-19(13)8-14(15,16)17/h3-5,7,9,12H,2,6,8H2,1H3/t9-,12-/m0/s1
InChIKeyKYZSOXKSOGICOK-CABZTGNLSA-N
XLogP4.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2S)-2-ethylcyclopropyl]-1-(2,2,2-trifluoroethyl)indazole?
The IUPAC name of 5-[(1S,2S)-2-ethylcyclopropyl]-1-(2,2,2-trifluoroethyl)indazole (CID 157034963) is 5-[(1S,2S)-2-ethylcyclopropyl]-1-(2,2,2-trifluoroethyl)indazole.
What is the SMILES notation for 5-[(1S,2S)-2-ethylcyclopropyl]-1-(2,2,2-trifluoroethyl)indazole?
The canonical SMILES for 5-[(1S,2S)-2-ethylcyclopropyl]-1-(2,2,2-trifluoroethyl)indazole is CC[C@H]1C[C@@H]1c1ccc2c(cnn2CC(F)(F)F)c1.
What is the InChIKey of 5-[(1S,2S)-2-ethylcyclopropyl]-1-(2,2,2-trifluoroethyl)indazole?
The InChIKey is KYZSOXKSOGICOK-CABZTGNLSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-2-9-6-12(9)10-3-4-13-11(5-10)7-18-19(13)8-14(15,16)17/h3-5,7,9,12H,2,6,8H2,1H3/t9-,12-/m0/s1.
What are the key properties of 5-[(1S,2S)-2-ethylcyclopropyl]-1-(2,2,2-trifluoroethyl)indazole?
5-[(1S,2S)-2-ethylcyclopropyl]-1-(2,2,2-trifluoroethyl)indazole has a molecular weight of 268.28 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2S)-2-ethylcyclopropyl]-1-(2,2,2-trifluoroethyl)indazole is sourced from PubChem (CID 157034963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).