4-fluoro-3,5-dimethyl-1H-isoindole

C10H10FN — CID 91508415

IUPAC4-fluoro-3,5-dimethyl-1H-isoindole
SMILESCC1=NCc2ccc(C)c(F)c21
InChIInChI=1S/C10H10FN/c1-6-3-4-8-5-12-7(2)9(8)10(6)11/h3-4H,5H2,1-2H3
InChIKeyCYXPGNDFNASPNQ-UHFFFAOYSA-N
MW163.19 g/mol
LogP2.46
Rot. Bonds

About 4-fluoro-3,5-dimethyl-1H-isoindole

4-fluoro-3,5-dimethyl-1H-isoindole (PubChem CID 91508415) has the molecular formula C10H10FN and a molecular weight of 163.19 g/mol. Its IUPAC name is 4-fluoro-3,5-dimethyl-1H-isoindole.

Molecular Properties

Compound Name4-fluoro-3,5-dimethyl-1H-isoindole
PubChem CID91508415
Molecular FormulaC10H10FN
Molecular Weight163.19 g/mol
Exact Mass163.08
IUPAC Name4-fluoro-3,5-dimethyl-1H-isoindole
SMILESCC1=NCc2ccc(C)c(F)c21
InChIInChI=1S/C10H10FN/c1-6-3-4-8-5-12-7(2)9(8)10(6)11/h3-4H,5H2,1-2H3
InChIKeyCYXPGNDFNASPNQ-UHFFFAOYSA-N
XLogP2.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,5-dimethyl-1H-isoindole?
The IUPAC name of 4-fluoro-3,5-dimethyl-1H-isoindole (CID 91508415) is 4-fluoro-3,5-dimethyl-1H-isoindole.
What is the SMILES notation for 4-fluoro-3,5-dimethyl-1H-isoindole?
The canonical SMILES for 4-fluoro-3,5-dimethyl-1H-isoindole is CC1=NCc2ccc(C)c(F)c21.
What is the InChIKey of 4-fluoro-3,5-dimethyl-1H-isoindole?
The InChIKey is CYXPGNDFNASPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN/c1-6-3-4-8-5-12-7(2)9(8)10(6)11/h3-4H,5H2,1-2H3.
What are the key properties of 4-fluoro-3,5-dimethyl-1H-isoindole?
4-fluoro-3,5-dimethyl-1H-isoindole has a molecular weight of 163.19 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,5-dimethyl-1H-isoindole is sourced from PubChem (CID 91508415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).