5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one

C17H10ClF4NO2 — CID 11143209

IUPAC5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Oc3c(F)cc(C(F)(F)F)cc3Cl)cc2C12CC2
InChIInChI=1S/C17H10ClF4NO2/c18-11-5-8(17(20,21)22)6-12(19)14(11)25-9-1-2-13-10(7-9)16(3-4-16)15(24)23-13/h1-2,5-7H,3-4H2,(H,23,24)
InChIKeyRZRVKBHVBNGFQP-UHFFFAOYSA-N
MW371.72 g/mol
LogP5.27
Rot. Bonds2

About 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one

5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 11143209) has the molecular formula C17H10ClF4NO2 and a molecular weight of 371.72 g/mol. Its IUPAC name is 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID11143209
Molecular FormulaC17H10ClF4NO2
Molecular Weight371.72 g/mol
Exact Mass371.03
IUPAC Name5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Oc3c(F)cc(C(F)(F)F)cc3Cl)cc2C12CC2
InChIInChI=1S/C17H10ClF4NO2/c18-11-5-8(17(20,21)22)6-12(19)14(11)25-9-1-2-13-10(7-9)16(3-4-16)15(24)23-13/h1-2,5-7H,3-4H2,(H,23,24)
InChIKeyRZRVKBHVBNGFQP-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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 11143209) is 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccc(Oc3c(F)cc(C(F)(F)F)cc3Cl)cc2C12CC2.
What is the InChIKey of 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is RZRVKBHVBNGFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF4NO2/c18-11-5-8(17(20,21)22)6-12(19)14(11)25-9-1-2-13-10(7-9)16(3-4-16)15(24)23-13/h1-2,5-7H,3-4H2,(H,23,24).
What are the key properties of 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one?
5-[2-chloro-6-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-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 11143209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).