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

C14H10FNO3S — CID 709501

IUPAC(3S)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one
SMILESO=C(C[C@@]1(O)C(=O)Nc2ccc(F)cc21)c1cccs1
InChIInChI=1S/C14H10FNO3S/c15-8-3-4-10-9(6-8)14(19,13(18)16-10)7-11(17)12-2-1-5-20-12/h1-6,19H,7H2,(H,16,18)/t14-/m0/s1
InChIKeyXFBDPHXHAJRXNX-AWEZNQCLSA-N
MW291.30 g/mol
LogP2.30
Rot. Bonds3

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

(3S)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one (PubChem CID 709501) has the molecular formula C14H10FNO3S and a molecular weight of 291.30 g/mol. Its IUPAC name is (3S)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one
PubChem CID709501
Molecular FormulaC14H10FNO3S
Molecular Weight291.30 g/mol
Exact Mass291.04
IUPAC Name(3S)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one
SMILESO=C(C[C@@]1(O)C(=O)Nc2ccc(F)cc21)c1cccs1
InChIInChI=1S/C14H10FNO3S/c15-8-3-4-10-9(6-8)14(19,13(18)16-10)7-11(17)12-2-1-5-20-12/h1-6,19H,7H2,(H,16,18)/t14-/m0/s1
InChIKeyXFBDPHXHAJRXNX-AWEZNQCLSA-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 (3S)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one?
The IUPAC name of (3S)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one (CID 709501) is (3S)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one.
What is the SMILES notation for (3S)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one?
The canonical SMILES for (3S)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one is O=C(C[C@@]1(O)C(=O)Nc2ccc(F)cc21)c1cccs1.
What is the InChIKey of (3S)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one?
The InChIKey is XFBDPHXHAJRXNX-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H10FNO3S/c15-8-3-4-10-9(6-8)14(19,13(18)16-10)7-11(17)12-2-1-5-20-12/h1-6,19H,7H2,(H,16,18)/t14-/m0/s1.
What are the key properties of (3S)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one?
(3S)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-2-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 (3S)-5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one is sourced from PubChem (CID 709501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).