3-hydroxy-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indol-2-one

C16H9F6NO3 — CID 10177586

IUPAC3-hydroxy-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2C1(O)c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C16H9F6NO3/c17-15(18,19)7-2-4-12(24)10(5-7)14(26)9-3-1-8(16(20,21)22)6-11(9)23-13(14)25/h1-6,24,26H,(H,23,25)
InChIKeyOHAHFRKJFGRKKC-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.62
Rot. Bonds1

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

3-hydroxy-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indol-2-one (PubChem CID 10177586) has the molecular formula C16H9F6NO3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 3-hydroxy-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indol-2-one
PubChem CID10177586
Molecular FormulaC16H9F6NO3
Molecular Weight377.24 g/mol
Exact Mass377.05
IUPAC Name3-hydroxy-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2C1(O)c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C16H9F6NO3/c17-15(18,19)7-2-4-12(24)10(5-7)14(26)9-3-1-8(16(20,21)22)6-11(9)23-13(14)25/h1-6,24,26H,(H,23,25)
InChIKeyOHAHFRKJFGRKKC-UHFFFAOYSA-N
XLogP3.62
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indol-2-one (CID 10177586) is 3-hydroxy-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indol-2-one is O=C1Nc2cc(C(F)(F)F)ccc2C1(O)c1cc(C(F)(F)F)ccc1O.
What is the InChIKey of 3-hydroxy-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is OHAHFRKJFGRKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F6NO3/c17-15(18,19)7-2-4-12(24)10(5-7)14(26)9-3-1-8(16(20,21)22)6-11(9)23-13(14)25/h1-6,24,26H,(H,23,25).
What are the key properties of 3-hydroxy-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indol-2-one?
3-hydroxy-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 377.24 g/mol, XLogP of 3.62, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 10177586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).