5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one

C17H10ClF4NO2 — CID 86745341

IUPAC5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Oc3cc(F)c(C(F)(F)F)c(Cl)c3)cc2C12CC2
InChIInChI=1S/C17H10ClF4NO2/c18-11-6-9(7-12(19)14(11)17(20,21)22)25-8-1-2-13-10(5-8)16(3-4-16)15(24)23-13/h1-2,5-7H,3-4H2,(H,23,24)
InChIKeyJKYNFHSJILGANV-UHFFFAOYSA-N
MW371.72 g/mol
LogP5.27
Rot. Bonds2

About 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one

5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 86745341) has the molecular formula C17H10ClF4NO2 and a molecular weight of 371.72 g/mol. Its IUPAC name is 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID86745341
Molecular FormulaC17H10ClF4NO2
Molecular Weight371.72 g/mol
Exact Mass371.03
IUPAC Name5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Oc3cc(F)c(C(F)(F)F)c(Cl)c3)cc2C12CC2
InChIInChI=1S/C17H10ClF4NO2/c18-11-6-9(7-12(19)14(11)17(20,21)22)25-8-1-2-13-10(5-8)16(3-4-16)15(24)23-13/h1-2,5-7H,3-4H2,(H,23,24)
InChIKeyJKYNFHSJILGANV-UHFFFAOYSA-N
XLogP5.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.72
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one 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 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 86745341) is 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccc(Oc3cc(F)c(C(F)(F)F)c(Cl)c3)cc2C12CC2.
What is the InChIKey of 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is JKYNFHSJILGANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF4NO2/c18-11-6-9(7-12(19)14(11)17(20,21)22)25-8-1-2-13-10(5-8)16(3-4-16)15(24)23-13/h1-2,5-7H,3-4H2,(H,23,24).
What are the key properties of 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one?
5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 371.72 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 86745341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).