7-fluoro-6-methyl-2,3,6,7-tetrahydroisoindol-1-one

C9H10FNO — CID 91442819

IUPAC7-fluoro-6-methyl-2,3,6,7-tetrahydroisoindol-1-one
SMILESCC1C=CC2=C(C(=O)NC2)C1F
InChIInChI=1S/C9H10FNO/c1-5-2-3-6-4-11-9(12)7(6)8(5)10/h2-3,5,8H,4H2,1H3,(H,11,12)
InChIKeyGZAMDCUTQXTBPB-UHFFFAOYSA-N
MW167.18 g/mol
LogP0.96
Rot. Bonds

About 7-fluoro-6-methyl-2,3,6,7-tetrahydroisoindol-1-one

7-fluoro-6-methyl-2,3,6,7-tetrahydroisoindol-1-one (PubChem CID 91442819) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 7-fluoro-6-methyl-2,3,6,7-tetrahydroisoindol-1-one.

Molecular Properties

Compound Name7-fluoro-6-methyl-2,3,6,7-tetrahydroisoindol-1-one
PubChem CID91442819
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name7-fluoro-6-methyl-2,3,6,7-tetrahydroisoindol-1-one
SMILESCC1C=CC2=C(C(=O)NC2)C1F
InChIInChI=1S/C9H10FNO/c1-5-2-3-6-4-11-9(12)7(6)8(5)10/h2-3,5,8H,4H2,1H3,(H,11,12)
InChIKeyGZAMDCUTQXTBPB-UHFFFAOYSA-N
XLogP0.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methyl-2,3,6,7-tetrahydroisoindol-1-one?
The IUPAC name of 7-fluoro-6-methyl-2,3,6,7-tetrahydroisoindol-1-one (CID 91442819) is 7-fluoro-6-methyl-2,3,6,7-tetrahydroisoindol-1-one.
What is the SMILES notation for 7-fluoro-6-methyl-2,3,6,7-tetrahydroisoindol-1-one?
The canonical SMILES for 7-fluoro-6-methyl-2,3,6,7-tetrahydroisoindol-1-one is CC1C=CC2=C(C(=O)NC2)C1F.
What is the InChIKey of 7-fluoro-6-methyl-2,3,6,7-tetrahydroisoindol-1-one?
The InChIKey is GZAMDCUTQXTBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-5-2-3-6-4-11-9(12)7(6)8(5)10/h2-3,5,8H,4H2,1H3,(H,11,12).
What are the key properties of 7-fluoro-6-methyl-2,3,6,7-tetrahydroisoindol-1-one?
7-fluoro-6-methyl-2,3,6,7-tetrahydroisoindol-1-one has a molecular weight of 167.18 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methyl-2,3,6,7-tetrahydroisoindol-1-one is sourced from PubChem (CID 91442819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).