(3R)-2-hydroxy-3-methoxy-3-(trifluoromethyl)isoindol-1-one

C10H8F3NO3 — CID 134863821

IUPAC(3R)-2-hydroxy-3-methoxy-3-(trifluoromethyl)isoindol-1-one
SMILESCO[C@@]1(C(F)(F)F)c2ccccc2C(=O)N1O
InChIInChI=1S/C10H8F3NO3/c1-17-9(10(11,12)13)7-5-3-2-4-6(7)8(15)14(9)16/h2-5,16H,1H3/t9-/m1/s1
InChIKeyUVMAMMBOIVBVDG-SECBINFHSA-N
MW247.17 g/mol
LogP1.89
Rot. Bonds1

About (3R)-2-hydroxy-3-methoxy-3-(trifluoromethyl)isoindol-1-one

(3R)-2-hydroxy-3-methoxy-3-(trifluoromethyl)isoindol-1-one (PubChem CID 134863821) has the molecular formula C10H8F3NO3 and a molecular weight of 247.17 g/mol. Its IUPAC name is (3R)-2-hydroxy-3-methoxy-3-(trifluoromethyl)isoindol-1-one.

Molecular Properties

Compound Name(3R)-2-hydroxy-3-methoxy-3-(trifluoromethyl)isoindol-1-one
PubChem CID134863821
Molecular FormulaC10H8F3NO3
Molecular Weight247.17 g/mol
Exact Mass247.05
IUPAC Name(3R)-2-hydroxy-3-methoxy-3-(trifluoromethyl)isoindol-1-one
SMILESCO[C@@]1(C(F)(F)F)c2ccccc2C(=O)N1O
InChIInChI=1S/C10H8F3NO3/c1-17-9(10(11,12)13)7-5-3-2-4-6(7)8(15)14(9)16/h2-5,16H,1H3/t9-/m1/s1
InChIKeyUVMAMMBOIVBVDG-SECBINFHSA-N
XLogP1.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-hydroxy-3-methoxy-3-(trifluoromethyl)isoindol-1-one?
The IUPAC name of (3R)-2-hydroxy-3-methoxy-3-(trifluoromethyl)isoindol-1-one (CID 134863821) is (3R)-2-hydroxy-3-methoxy-3-(trifluoromethyl)isoindol-1-one.
What is the SMILES notation for (3R)-2-hydroxy-3-methoxy-3-(trifluoromethyl)isoindol-1-one?
The canonical SMILES for (3R)-2-hydroxy-3-methoxy-3-(trifluoromethyl)isoindol-1-one is CO[C@@]1(C(F)(F)F)c2ccccc2C(=O)N1O.
What is the InChIKey of (3R)-2-hydroxy-3-methoxy-3-(trifluoromethyl)isoindol-1-one?
The InChIKey is UVMAMMBOIVBVDG-SECBINFHSA-N. The full InChI is InChI=1S/C10H8F3NO3/c1-17-9(10(11,12)13)7-5-3-2-4-6(7)8(15)14(9)16/h2-5,16H,1H3/t9-/m1/s1.
What are the key properties of (3R)-2-hydroxy-3-methoxy-3-(trifluoromethyl)isoindol-1-one?
(3R)-2-hydroxy-3-methoxy-3-(trifluoromethyl)isoindol-1-one has a molecular weight of 247.17 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-hydroxy-3-methoxy-3-(trifluoromethyl)isoindol-1-one is sourced from PubChem (CID 134863821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).