(3R)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-3-ylethyl)-1H-indol-2-one

C14H10FNO3S — CID 39890021

IUPAC(3R)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-3-ylethyl)-1H-indol-2-one
SMILESO=C(C[C@]1(O)C(=O)Nc2ccc(F)cc21)c1ccsc1
InChIInChI=1S/C14H10FNO3S/c15-9-1-2-11-10(5-9)14(19,13(18)16-11)6-12(17)8-3-4-20-7-8/h1-5,7,19H,6H2,(H,16,18)/t14-/m1/s1
InChIKeyBMERRVAXDXOWMB-CQSZACIVSA-N
MW291.30 g/mol
LogP2.30
Rot. Bonds3

About (3R)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-3-ylethyl)-1H-indol-2-one

(3R)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-3-ylethyl)-1H-indol-2-one (PubChem CID 39890021) has the molecular formula C14H10FNO3S and a molecular weight of 291.30 g/mol. Its IUPAC name is (3R)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-3-ylethyl)-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-3-ylethyl)-1H-indol-2-one
PubChem CID39890021
Molecular FormulaC14H10FNO3S
Molecular Weight291.30 g/mol
Exact Mass291.04
IUPAC Name(3R)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-3-ylethyl)-1H-indol-2-one
SMILESO=C(C[C@]1(O)C(=O)Nc2ccc(F)cc21)c1ccsc1
InChIInChI=1S/C14H10FNO3S/c15-9-1-2-11-10(5-9)14(19,13(18)16-11)6-12(17)8-3-4-20-7-8/h1-5,7,19H,6H2,(H,16,18)/t14-/m1/s1
InChIKeyBMERRVAXDXOWMB-CQSZACIVSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-3-ylethyl)-1H-indol-2-one?
The IUPAC name of (3R)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-3-ylethyl)-1H-indol-2-one (CID 39890021) is (3R)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-3-ylethyl)-1H-indol-2-one.
What is the SMILES notation for (3R)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-3-ylethyl)-1H-indol-2-one?
The canonical SMILES for (3R)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-3-ylethyl)-1H-indol-2-one is O=C(C[C@]1(O)C(=O)Nc2ccc(F)cc21)c1ccsc1.
What is the InChIKey of (3R)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-3-ylethyl)-1H-indol-2-one?
The InChIKey is BMERRVAXDXOWMB-CQSZACIVSA-N. The full InChI is InChI=1S/C14H10FNO3S/c15-9-1-2-11-10(5-9)14(19,13(18)16-11)6-12(17)8-3-4-20-7-8/h1-5,7,19H,6H2,(H,16,18)/t14-/m1/s1.
What are the key properties of (3R)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-3-ylethyl)-1H-indol-2-one?
(3R)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-3-ylethyl)-1H-indol-2-one has a molecular weight of 291.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-3-ylethyl)-1H-indol-2-one is sourced from PubChem (CID 39890021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).