(3S)-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one

C8H6FNO2 — CID 28561302

IUPAC(3S)-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2[C@@H]1O
InChIInChI=1S/C8H6FNO2/c9-4-1-2-5-6(3-4)10-8(12)7(5)11/h1-3,7,11H,(H,10,12)/t7-/m0/s1
InChIKeyGHBAJXNPNPVRNC-ZETCQYMHSA-N
MW167.14 g/mol
LogP0.81
Rot. Bonds

About (3S)-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one

(3S)-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 28561302) has the molecular formula C8H6FNO2 and a molecular weight of 167.14 g/mol. Its IUPAC name is (3S)-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID28561302
Molecular FormulaC8H6FNO2
Molecular Weight167.14 g/mol
Exact Mass167.04
IUPAC Name(3S)-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2[C@@H]1O
InChIInChI=1S/C8H6FNO2/c9-4-1-2-5-6(3-4)10-8(12)7(5)11/h1-3,7,11H,(H,10,12)/t7-/m0/s1
InChIKeyGHBAJXNPNPVRNC-ZETCQYMHSA-N
XLogP0.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one (CID 28561302) is (3S)-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2cc(F)ccc2[C@@H]1O.
What is the InChIKey of (3S)-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is GHBAJXNPNPVRNC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H6FNO2/c9-4-1-2-5-6(3-4)10-8(12)7(5)11/h1-3,7,11H,(H,10,12)/t7-/m0/s1.
What are the key properties of (3S)-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
(3S)-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 167.14 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 28561302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).