5-fluoro-2,3,3-trimethylindole

C11H12FN — CID 17028072

IUPAC5-fluoro-2,3,3-trimethylindole
SMILESCC1=Nc2ccc(F)cc2C1(C)C
InChIInChI=1S/C11H12FN/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,1-3H3
InChIKeyCNIGIKJWPKTMGG-UHFFFAOYSA-N
MW177.22 g/mol
LogP3.21
Rot. Bonds

About 5-fluoro-2,3,3-trimethylindole

5-fluoro-2,3,3-trimethylindole (PubChem CID 17028072) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 5-fluoro-2,3,3-trimethylindole.

Molecular Properties

Compound Name5-fluoro-2,3,3-trimethylindole
PubChem CID17028072
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name5-fluoro-2,3,3-trimethylindole
SMILESCC1=Nc2ccc(F)cc2C1(C)C
InChIInChI=1S/C11H12FN/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,1-3H3
InChIKeyCNIGIKJWPKTMGG-UHFFFAOYSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3,3-trimethylindole?
The IUPAC name of 5-fluoro-2,3,3-trimethylindole (CID 17028072) is 5-fluoro-2,3,3-trimethylindole.
What is the SMILES notation for 5-fluoro-2,3,3-trimethylindole?
The canonical SMILES for 5-fluoro-2,3,3-trimethylindole is CC1=Nc2ccc(F)cc2C1(C)C.
What is the InChIKey of 5-fluoro-2,3,3-trimethylindole?
The InChIKey is CNIGIKJWPKTMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,1-3H3.
What are the key properties of 5-fluoro-2,3,3-trimethylindole?
5-fluoro-2,3,3-trimethylindole has a molecular weight of 177.22 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3,3-trimethylindole is sourced from PubChem (CID 17028072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).