6-fluoro-5-propan-2-yl-3H-indole

C11H12FN — CID 58371455

IUPAC6-fluoro-5-propan-2-yl-3H-indole
SMILESCC(C)c1cc2c(cc1F)N=CC2
InChIInChI=1S/C11H12FN/c1-7(2)9-5-8-3-4-13-11(8)6-10(9)12/h4-7H,3H2,1-2H3
InChIKeyCIKYJMWRQLROFA-UHFFFAOYSA-N
MW177.22 g/mol
LogP3.21
Rot. Bonds1

About 6-fluoro-5-propan-2-yl-3H-indole

6-fluoro-5-propan-2-yl-3H-indole (PubChem CID 58371455) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 6-fluoro-5-propan-2-yl-3H-indole.

Molecular Properties

Compound Name6-fluoro-5-propan-2-yl-3H-indole
PubChem CID58371455
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name6-fluoro-5-propan-2-yl-3H-indole
SMILESCC(C)c1cc2c(cc1F)N=CC2
InChIInChI=1S/C11H12FN/c1-7(2)9-5-8-3-4-13-11(8)6-10(9)12/h4-7H,3H2,1-2H3
InChIKeyCIKYJMWRQLROFA-UHFFFAOYSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 6-fluoro-5-propan-2-yl-3H-indole?
The IUPAC name of 6-fluoro-5-propan-2-yl-3H-indole (CID 58371455) is 6-fluoro-5-propan-2-yl-3H-indole.
What is the SMILES notation for 6-fluoro-5-propan-2-yl-3H-indole?
The canonical SMILES for 6-fluoro-5-propan-2-yl-3H-indole is CC(C)c1cc2c(cc1F)N=CC2.
What is the InChIKey of 6-fluoro-5-propan-2-yl-3H-indole?
The InChIKey is CIKYJMWRQLROFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN/c1-7(2)9-5-8-3-4-13-11(8)6-10(9)12/h4-7H,3H2,1-2H3.
What are the key properties of 6-fluoro-5-propan-2-yl-3H-indole?
6-fluoro-5-propan-2-yl-3H-indole has a molecular weight of 177.22 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-propan-2-yl-3H-indole is sourced from PubChem (CID 58371455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).