1-hydroxy-8-(trifluoromethyl)isochromen-3-one

C10H5F3O3 — CID 123657801

IUPAC1-hydroxy-8-(trifluoromethyl)isochromen-3-one
SMILESO=c1cc2cccc(C(F)(F)F)c2c(O)o1
InChIInChI=1S/C10H5F3O3/c11-10(12,13)6-3-1-2-5-4-7(14)16-9(15)8(5)6/h1-4,15H
InChIKeyUJQOCJRTWZHYFL-UHFFFAOYSA-N
MW230.14 g/mol
LogP2.52
Rot. Bonds

About 1-hydroxy-8-(trifluoromethyl)isochromen-3-one

1-hydroxy-8-(trifluoromethyl)isochromen-3-one (PubChem CID 123657801) has the molecular formula C10H5F3O3 and a molecular weight of 230.14 g/mol. Its IUPAC name is 1-hydroxy-8-(trifluoromethyl)isochromen-3-one.

Molecular Properties

Compound Name1-hydroxy-8-(trifluoromethyl)isochromen-3-one
PubChem CID123657801
Molecular FormulaC10H5F3O3
Molecular Weight230.14 g/mol
Exact Mass230.02
IUPAC Name1-hydroxy-8-(trifluoromethyl)isochromen-3-one
SMILESO=c1cc2cccc(C(F)(F)F)c2c(O)o1
InChIInChI=1S/C10H5F3O3/c11-10(12,13)6-3-1-2-5-4-7(14)16-9(15)8(5)6/h1-4,15H
InChIKeyUJQOCJRTWZHYFL-UHFFFAOYSA-N
XLogP2.52
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-8-(trifluoromethyl)isochromen-3-one?
The IUPAC name of 1-hydroxy-8-(trifluoromethyl)isochromen-3-one (CID 123657801) is 1-hydroxy-8-(trifluoromethyl)isochromen-3-one.
What is the SMILES notation for 1-hydroxy-8-(trifluoromethyl)isochromen-3-one?
The canonical SMILES for 1-hydroxy-8-(trifluoromethyl)isochromen-3-one is O=c1cc2cccc(C(F)(F)F)c2c(O)o1.
What is the InChIKey of 1-hydroxy-8-(trifluoromethyl)isochromen-3-one?
The InChIKey is UJQOCJRTWZHYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3O3/c11-10(12,13)6-3-1-2-5-4-7(14)16-9(15)8(5)6/h1-4,15H.
What are the key properties of 1-hydroxy-8-(trifluoromethyl)isochromen-3-one?
1-hydroxy-8-(trifluoromethyl)isochromen-3-one has a molecular weight of 230.14 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-8-(trifluoromethyl)isochromen-3-one is sourced from PubChem (CID 123657801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).