6-fluoro-1,3-dihydroindol-2-one

C8H6FNO — CID 3731013

IUPAC6-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(F)cc2N1
InChIInChI=1S/C8H6FNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
InChIKeyPKQNTFAOZIVXCE-UHFFFAOYSA-N
MW151.14 g/mol
LogP1.32
Rot. Bonds

About 6-fluoro-1,3-dihydroindol-2-one

6-fluoro-1,3-dihydroindol-2-one (PubChem CID 3731013) has the molecular formula C8H6FNO and a molecular weight of 151.14 g/mol. Its IUPAC name is 6-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-fluoro-1,3-dihydroindol-2-one
PubChem CID3731013
Molecular FormulaC8H6FNO
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Name6-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(F)cc2N1
InChIInChI=1S/C8H6FNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
InChIKeyPKQNTFAOZIVXCE-UHFFFAOYSA-N
XLogP1.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 6-fluoro-1,3-dihydroindol-2-one (CID 3731013) is 6-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 6-fluoro-1,3-dihydroindol-2-one is O=C1Cc2ccc(F)cc2N1.
What is the InChIKey of 6-fluoro-1,3-dihydroindol-2-one?
The InChIKey is PKQNTFAOZIVXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11).
What are the key properties of 6-fluoro-1,3-dihydroindol-2-one?
6-fluoro-1,3-dihydroindol-2-one has a molecular weight of 151.14 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 3731013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).