5-fluoro-1,3,6,7-tetrahydroindol-2-one

C8H8FNO — CID 163518938

IUPAC5-fluoro-1,3,6,7-tetrahydroindol-2-one
SMILESO=C1CC2=C(CCC(F)=C2)N1
InChIInChI=1S/C8H8FNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h3H,1-2,4H2,(H,10,11)
InChIKeyDJCSDCNUTMTXSP-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.41
Rot. Bonds

About 5-fluoro-1,3,6,7-tetrahydroindol-2-one

5-fluoro-1,3,6,7-tetrahydroindol-2-one (PubChem CID 163518938) has the molecular formula C8H8FNO and a molecular weight of 153.16 g/mol. Its IUPAC name is 5-fluoro-1,3,6,7-tetrahydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-1,3,6,7-tetrahydroindol-2-one
PubChem CID163518938
Molecular FormulaC8H8FNO
Molecular Weight153.16 g/mol
Exact Mass153.06
IUPAC Name5-fluoro-1,3,6,7-tetrahydroindol-2-one
SMILESO=C1CC2=C(CCC(F)=C2)N1
InChIInChI=1S/C8H8FNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h3H,1-2,4H2,(H,10,11)
InChIKeyDJCSDCNUTMTXSP-UHFFFAOYSA-N
XLogP1.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3,6,7-tetrahydroindol-2-one?
The IUPAC name of 5-fluoro-1,3,6,7-tetrahydroindol-2-one (CID 163518938) is 5-fluoro-1,3,6,7-tetrahydroindol-2-one.
What is the SMILES notation for 5-fluoro-1,3,6,7-tetrahydroindol-2-one?
The canonical SMILES for 5-fluoro-1,3,6,7-tetrahydroindol-2-one is O=C1CC2=C(CCC(F)=C2)N1.
What is the InChIKey of 5-fluoro-1,3,6,7-tetrahydroindol-2-one?
The InChIKey is DJCSDCNUTMTXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h3H,1-2,4H2,(H,10,11).
What are the key properties of 5-fluoro-1,3,6,7-tetrahydroindol-2-one?
5-fluoro-1,3,6,7-tetrahydroindol-2-one has a molecular weight of 153.16 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3,6,7-tetrahydroindol-2-one is sourced from PubChem (CID 163518938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).