5-fluoro-3,3-dimethylindole

C10H10FN — CID 45090803

IUPAC5-fluoro-3,3-dimethylindole
SMILESCC1(C)C=Nc2ccc(F)cc21
InChIInChI=1S/C10H10FN/c1-10(2)6-12-9-4-3-7(11)5-8(9)10/h3-6H,1-2H3
InChIKeyJGMNUQOPODCOFW-UHFFFAOYSA-N
MW163.19 g/mol
LogP2.82
Rot. Bonds

About 5-fluoro-3,3-dimethylindole

5-fluoro-3,3-dimethylindole (PubChem CID 45090803) has the molecular formula C10H10FN and a molecular weight of 163.19 g/mol. Its IUPAC name is 5-fluoro-3,3-dimethylindole.

Molecular Properties

Compound Name5-fluoro-3,3-dimethylindole
PubChem CID45090803
Molecular FormulaC10H10FN
Molecular Weight163.19 g/mol
Exact Mass163.08
IUPAC Name5-fluoro-3,3-dimethylindole
SMILESCC1(C)C=Nc2ccc(F)cc21
InChIInChI=1S/C10H10FN/c1-10(2)6-12-9-4-3-7(11)5-8(9)10/h3-6H,1-2H3
InChIKeyJGMNUQOPODCOFW-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,3-dimethylindole?
The IUPAC name of 5-fluoro-3,3-dimethylindole (CID 45090803) is 5-fluoro-3,3-dimethylindole.
What is the SMILES notation for 5-fluoro-3,3-dimethylindole?
The canonical SMILES for 5-fluoro-3,3-dimethylindole is CC1(C)C=Nc2ccc(F)cc21.
What is the InChIKey of 5-fluoro-3,3-dimethylindole?
The InChIKey is JGMNUQOPODCOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN/c1-10(2)6-12-9-4-3-7(11)5-8(9)10/h3-6H,1-2H3.
What are the key properties of 5-fluoro-3,3-dimethylindole?
5-fluoro-3,3-dimethylindole has a molecular weight of 163.19 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,3-dimethylindole is sourced from PubChem (CID 45090803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).