5-fluoro-1,3,3-trimethyl-2H-indole

C11H14FN — CID 58386422

IUPAC5-fluoro-1,3,3-trimethyl-2H-indole
SMILESCN1CC(C)(C)c2cc(F)ccc21
InChIInChI=1S/C11H14FN/c1-11(2)7-13(3)10-5-4-8(12)6-9(10)11/h4-6H,7H2,1-3H3
InChIKeySWUYYRGSJSQWEU-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.55
Rot. Bonds

About 5-fluoro-1,3,3-trimethyl-2H-indole

5-fluoro-1,3,3-trimethyl-2H-indole (PubChem CID 58386422) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 5-fluoro-1,3,3-trimethyl-2H-indole.

Molecular Properties

Compound Name5-fluoro-1,3,3-trimethyl-2H-indole
PubChem CID58386422
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name5-fluoro-1,3,3-trimethyl-2H-indole
SMILESCN1CC(C)(C)c2cc(F)ccc21
InChIInChI=1S/C11H14FN/c1-11(2)7-13(3)10-5-4-8(12)6-9(10)11/h4-6H,7H2,1-3H3
InChIKeySWUYYRGSJSQWEU-UHFFFAOYSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3,3-trimethyl-2H-indole?
The IUPAC name of 5-fluoro-1,3,3-trimethyl-2H-indole (CID 58386422) is 5-fluoro-1,3,3-trimethyl-2H-indole.
What is the SMILES notation for 5-fluoro-1,3,3-trimethyl-2H-indole?
The canonical SMILES for 5-fluoro-1,3,3-trimethyl-2H-indole is CN1CC(C)(C)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1,3,3-trimethyl-2H-indole?
The InChIKey is SWUYYRGSJSQWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-11(2)7-13(3)10-5-4-8(12)6-9(10)11/h4-6H,7H2,1-3H3.
What are the key properties of 5-fluoro-1,3,3-trimethyl-2H-indole?
5-fluoro-1,3,3-trimethyl-2H-indole has a molecular weight of 179.24 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3,3-trimethyl-2H-indole is sourced from PubChem (CID 58386422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).