3-[5-chloro-2-(tritritiomethoxy)phenyl]-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one

C16H10ClF4NO2 — CID 11079059

IUPAC3-[5-chloro-2-(tritritiomethoxy)phenyl]-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
SMILES[3H]C([3H])([3H])Oc1ccc(Cl)cc1C1(F)C(=O)Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H10ClF4NO2/c1-24-13-5-3-9(17)7-11(13)15(18)10-4-2-8(16(19,20)21)6-12(10)22-14(15)23/h2-7H,1H3,(H,22,23)/i1T3
InChIKeyULYONBAOIMCNEH-RLXJOQACSA-N
MW365.73 g/mol
LogP4.53
Rot. Bonds3

About 3-[5-chloro-2-(tritritiomethoxy)phenyl]-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one

3-[5-chloro-2-(tritritiomethoxy)phenyl]-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one (PubChem CID 11079059) has the molecular formula C16H10ClF4NO2 and a molecular weight of 365.73 g/mol. Its IUPAC name is 3-[5-chloro-2-(tritritiomethoxy)phenyl]-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-[5-chloro-2-(tritritiomethoxy)phenyl]-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
PubChem CID11079059
Molecular FormulaC16H10ClF4NO2
Molecular Weight365.73 g/mol
Exact Mass365.06
IUPAC Name3-[5-chloro-2-(tritritiomethoxy)phenyl]-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
SMILES[3H]C([3H])([3H])Oc1ccc(Cl)cc1C1(F)C(=O)Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H10ClF4NO2/c1-24-13-5-3-9(17)7-11(13)15(18)10-4-2-8(16(19,20)21)6-12(10)22-14(15)23/h2-7H,1H3,(H,22,23)/i1T3
InChIKeyULYONBAOIMCNEH-RLXJOQACSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.73
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(tritritiomethoxy)phenyl]-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-[5-chloro-2-(tritritiomethoxy)phenyl]-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one (CID 11079059) is 3-[5-chloro-2-(tritritiomethoxy)phenyl]-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-[5-chloro-2-(tritritiomethoxy)phenyl]-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-[5-chloro-2-(tritritiomethoxy)phenyl]-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one is [3H]C([3H])([3H])Oc1ccc(Cl)cc1C1(F)C(=O)Nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-[5-chloro-2-(tritritiomethoxy)phenyl]-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is ULYONBAOIMCNEH-RLXJOQACSA-N. The full InChI is InChI=1S/C16H10ClF4NO2/c1-24-13-5-3-9(17)7-11(13)15(18)10-4-2-8(16(19,20)21)6-12(10)22-14(15)23/h2-7H,1H3,(H,22,23)/i1T3.
What are the key properties of 3-[5-chloro-2-(tritritiomethoxy)phenyl]-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one?
3-[5-chloro-2-(tritritiomethoxy)phenyl]-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 365.73 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(tritritiomethoxy)phenyl]-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 11079059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).