ethyl 2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]acetate

C14H17F3N2O2 — CID 86719812

IUPACethyl 2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C(F)(F)F)c2c1CCCC21CC1
InChIInChI=1S/C14H17F3N2O2/c1-2-21-10(20)8-19-9-4-3-5-13(6-7-13)11(9)12(18-19)14(15,16)17/h2-8H2,1H3
InChIKeyGYJWYYQPUTWLHP-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.83
Rot. Bonds3

About ethyl 2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]acetate

ethyl 2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]acetate (PubChem CID 86719812) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is ethyl 2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]acetate
PubChem CID86719812
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Nameethyl 2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C(F)(F)F)c2c1CCCC21CC1
InChIInChI=1S/C14H17F3N2O2/c1-2-21-10(20)8-19-9-4-3-5-13(6-7-13)11(9)12(18-19)14(15,16)17/h2-8H2,1H3
InChIKeyGYJWYYQPUTWLHP-UHFFFAOYSA-N
XLogP2.83
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]acetate 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 ethyl 2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]acetate (CID 86719812) is ethyl 2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]acetate is CCOC(=O)Cn1nc(C(F)(F)F)c2c1CCCC21CC1.
What is the InChIKey of ethyl 2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]acetate?
The InChIKey is GYJWYYQPUTWLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-2-21-10(20)8-19-9-4-3-5-13(6-7-13)11(9)12(18-19)14(15,16)17/h2-8H2,1H3.
What are the key properties of ethyl 2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]acetate?
ethyl 2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]acetate has a molecular weight of 302.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]acetate is sourced from PubChem (CID 86719812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).