5-fluoro-3-methyl-2-propyl-1H-indole

C12H14FN — CID 72942274

IUPAC5-fluoro-3-methyl-2-propyl-1H-indole
SMILESCCCc1[nH]c2ccc(F)cc2c1C
InChIInChI=1S/C12H14FN/c1-3-4-11-8(2)10-7-9(13)5-6-12(10)14-11/h5-7,14H,3-4H2,1-2H3
InChIKeySALXYQYIJALXLH-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.57
Rot. Bonds2

About 5-fluoro-3-methyl-2-propyl-1H-indole

5-fluoro-3-methyl-2-propyl-1H-indole (PubChem CID 72942274) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 5-fluoro-3-methyl-2-propyl-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-methyl-2-propyl-1H-indole
PubChem CID72942274
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name5-fluoro-3-methyl-2-propyl-1H-indole
SMILESCCCc1[nH]c2ccc(F)cc2c1C
InChIInChI=1S/C12H14FN/c1-3-4-11-8(2)10-7-9(13)5-6-12(10)14-11/h5-7,14H,3-4H2,1-2H3
InChIKeySALXYQYIJALXLH-UHFFFAOYSA-N
XLogP3.57
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-2-propyl-1H-indole?
The IUPAC name of 5-fluoro-3-methyl-2-propyl-1H-indole (CID 72942274) is 5-fluoro-3-methyl-2-propyl-1H-indole.
What is the SMILES notation for 5-fluoro-3-methyl-2-propyl-1H-indole?
The canonical SMILES for 5-fluoro-3-methyl-2-propyl-1H-indole is CCCc1[nH]c2ccc(F)cc2c1C.
What is the InChIKey of 5-fluoro-3-methyl-2-propyl-1H-indole?
The InChIKey is SALXYQYIJALXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-3-4-11-8(2)10-7-9(13)5-6-12(10)14-11/h5-7,14H,3-4H2,1-2H3.
What are the key properties of 5-fluoro-3-methyl-2-propyl-1H-indole?
5-fluoro-3-methyl-2-propyl-1H-indole has a molecular weight of 191.25 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-2-propyl-1H-indole is sourced from PubChem (CID 72942274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).