ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate

C14H12F3NO4 — CID 71200919

IUPACethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)C1CC12C(=O)Nc1ccc(OC(F)(F)F)cc12
InChIInChI=1S/C14H12F3NO4/c1-2-21-11(19)9-6-13(9)8-5-7(22-14(15,16)17)3-4-10(8)18-12(13)20/h3-5,9H,2,6H2,1H3,(H,18,20)
InChIKeyRVWBZHPWKSOCOL-UHFFFAOYSA-N
MW315.25 g/mol
LogP2.36
Rot. Bonds3

About ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate

ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate (PubChem CID 71200919) has the molecular formula C14H12F3NO4 and a molecular weight of 315.25 g/mol. Its IUPAC name is ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
PubChem CID71200919
Molecular FormulaC14H12F3NO4
Molecular Weight315.25 g/mol
Exact Mass315.07
IUPAC Nameethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)C1CC12C(=O)Nc1ccc(OC(F)(F)F)cc12
InChIInChI=1S/C14H12F3NO4/c1-2-21-11(19)9-6-13(9)8-5-7(22-14(15,16)17)3-4-10(8)18-12(13)20/h3-5,9H,2,6H2,1H3,(H,18,20)
InChIKeyRVWBZHPWKSOCOL-UHFFFAOYSA-N
XLogP2.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
The IUPAC name of ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate (CID 71200919) is ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate.
What is the SMILES notation for ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
The canonical SMILES for ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate is CCOC(=O)C1CC12C(=O)Nc1ccc(OC(F)(F)F)cc12.
What is the InChIKey of ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
The InChIKey is RVWBZHPWKSOCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO4/c1-2-21-11(19)9-6-13(9)8-5-7(22-14(15,16)17)3-4-10(8)18-12(13)20/h3-5,9H,2,6H2,1H3,(H,18,20).
What are the key properties of ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate?
ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate has a molecular weight of 315.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate is sourced from PubChem (CID 71200919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).