6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-dimethyl-3H-indol-2-one

C17H13ClF3NO2 — CID 10360871

IUPAC6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-dimethyl-3H-indol-2-one
SMILESCC1C(=O)N(C)c2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc21
InChIInChI=1S/C17H13ClF3NO2/c1-9-12-5-4-11(8-14(12)22(2)16(9)23)24-15-6-3-10(7-13(15)18)17(19,20)21/h3-9H,1-2H3
InChIKeyHYLOBURNOLMBCE-UHFFFAOYSA-N
MW355.74 g/mol
LogP5.23
Rot. Bonds2

About 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-dimethyl-3H-indol-2-one

6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-dimethyl-3H-indol-2-one (PubChem CID 10360871) has the molecular formula C17H13ClF3NO2 and a molecular weight of 355.74 g/mol. Its IUPAC name is 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-dimethyl-3H-indol-2-one.

Molecular Properties

Compound Name6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-dimethyl-3H-indol-2-one
PubChem CID10360871
Molecular FormulaC17H13ClF3NO2
Molecular Weight355.74 g/mol
Exact Mass355.06
IUPAC Name6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-dimethyl-3H-indol-2-one
SMILESCC1C(=O)N(C)c2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc21
InChIInChI=1S/C17H13ClF3NO2/c1-9-12-5-4-11(8-14(12)22(2)16(9)23)24-15-6-3-10(7-13(15)18)17(19,20)21/h3-9H,1-2H3
InChIKeyHYLOBURNOLMBCE-UHFFFAOYSA-N
XLogP5.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.74
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-dimethyl-3H-indol-2-one?
The IUPAC name of 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-dimethyl-3H-indol-2-one (CID 10360871) is 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-dimethyl-3H-indol-2-one.
What is the SMILES notation for 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-dimethyl-3H-indol-2-one?
The canonical SMILES for 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-dimethyl-3H-indol-2-one is CC1C(=O)N(C)c2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc21.
What is the InChIKey of 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-dimethyl-3H-indol-2-one?
The InChIKey is HYLOBURNOLMBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3NO2/c1-9-12-5-4-11(8-14(12)22(2)16(9)23)24-15-6-3-10(7-13(15)18)17(19,20)21/h3-9H,1-2H3.
What are the key properties of 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-dimethyl-3H-indol-2-one?
6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-dimethyl-3H-indol-2-one has a molecular weight of 355.74 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-dimethyl-3H-indol-2-one is sourced from PubChem (CID 10360871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).