(3R)-3-fluoro-3-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-1-methylindol-2-one

C17H13F4NO3 — CID 132941467

IUPAC(3R)-3-fluoro-3-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-1-methylindol-2-one
SMILESCN1C(=O)[C@](F)(C(O)c2ccc(OC(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C17H13F4NO3/c1-22-13-5-3-2-4-12(13)16(18,15(22)24)14(23)10-6-8-11(9-7-10)25-17(19,20)21/h2-9,14,23H,1H3/t14?,16-/m1/s1
InChIKeyYVBJSEBJQBKSJP-BZSJEYESSA-N
MW355.29 g/mol
LogP3.46
Rot. Bonds3

About (3R)-3-fluoro-3-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-1-methylindol-2-one

(3R)-3-fluoro-3-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-1-methylindol-2-one (PubChem CID 132941467) has the molecular formula C17H13F4NO3 and a molecular weight of 355.29 g/mol. Its IUPAC name is (3R)-3-fluoro-3-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-1-methylindol-2-one.

Molecular Properties

Compound Name(3R)-3-fluoro-3-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-1-methylindol-2-one
PubChem CID132941467
Molecular FormulaC17H13F4NO3
Molecular Weight355.29 g/mol
Exact Mass355.08
IUPAC Name(3R)-3-fluoro-3-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-1-methylindol-2-one
SMILESCN1C(=O)[C@](F)(C(O)c2ccc(OC(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C17H13F4NO3/c1-22-13-5-3-2-4-12(13)16(18,15(22)24)14(23)10-6-8-11(9-7-10)25-17(19,20)21/h2-9,14,23H,1H3/t14?,16-/m1/s1
InChIKeyYVBJSEBJQBKSJP-BZSJEYESSA-N
XLogP3.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-3-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-1-methylindol-2-one?
The IUPAC name of (3R)-3-fluoro-3-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-1-methylindol-2-one (CID 132941467) is (3R)-3-fluoro-3-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-1-methylindol-2-one.
What is the SMILES notation for (3R)-3-fluoro-3-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-1-methylindol-2-one?
The canonical SMILES for (3R)-3-fluoro-3-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-1-methylindol-2-one is CN1C(=O)[C@](F)(C(O)c2ccc(OC(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of (3R)-3-fluoro-3-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-1-methylindol-2-one?
The InChIKey is YVBJSEBJQBKSJP-BZSJEYESSA-N. The full InChI is InChI=1S/C17H13F4NO3/c1-22-13-5-3-2-4-12(13)16(18,15(22)24)14(23)10-6-8-11(9-7-10)25-17(19,20)21/h2-9,14,23H,1H3/t14?,16-/m1/s1.
What are the key properties of (3R)-3-fluoro-3-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-1-methylindol-2-one?
(3R)-3-fluoro-3-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-1-methylindol-2-one has a molecular weight of 355.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-3-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-1-methylindol-2-one is sourced from PubChem (CID 132941467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).