(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one

C10H8F3NO2 — CID 92845660

IUPAC(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
SMILESCN1C(=O)[C@@](O)(C(F)(F)F)c2ccccc21
InChIInChI=1S/C10H8F3NO2/c1-14-7-5-3-2-4-6(7)9(16,8(14)15)10(11,12)13/h2-5,16H,1H3/t9-/m1/s1
InChIKeyUMBXVOOWLXWEHO-SECBINFHSA-N
MW231.17 g/mol
LogP1.41
Rot. Bonds

About (3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one

(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one (PubChem CID 92845660) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
PubChem CID92845660
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
SMILESCN1C(=O)[C@@](O)(C(F)(F)F)c2ccccc21
InChIInChI=1S/C10H8F3NO2/c1-14-7-5-3-2-4-6(7)9(16,8(14)15)10(11,12)13/h2-5,16H,1H3/t9-/m1/s1
InChIKeyUMBXVOOWLXWEHO-SECBINFHSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one
CID 102346465
5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 102474299
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one
CID 44603962
(3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one
CID 139095917
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
methyl (2R)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate
CID 101445842
1-methyl-3-[(4-methylphenyl)methyl]-3-(trifluoromethyl)indol-2-one
CID 132820776
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
3-chloro-1-methyl-3-(trichloromethyl)indol-2-one
CID 121215854
3-acetyl-1,3-dimethylindol-2-one
CID 71513470
3-[(4-chlorophenyl)methyl]-1-methyl-3-(trifluoromethyl)indol-2-one
CID 132820779

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one?
The IUPAC name of (3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one (CID 92845660) is (3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one is CN1C(=O)[C@@](O)(C(F)(F)F)c2ccccc21.
What is the InChIKey of (3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one?
The InChIKey is UMBXVOOWLXWEHO-SECBINFHSA-N. The full InChI is InChI=1S/C10H8F3NO2/c1-14-7-5-3-2-4-6(7)9(16,8(14)15)10(11,12)13/h2-5,16H,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one?
(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one has a molecular weight of 231.17 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one is sourced from PubChem (CID 92845660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).