6-fluoro-1-methyl-3-propan-2-ylindole

C12H14FN — CID 58525499

IUPAC6-fluoro-1-methyl-3-propan-2-ylindole
SMILESCC(C)c1cn(C)c2cc(F)ccc12
InChIInChI=1S/C12H14FN/c1-8(2)11-7-14(3)12-6-9(13)4-5-10(11)12/h4-8H,1-3H3
InChIKeyBUKRBVVHNFYDDN-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.44
Rot. Bonds1

About 6-fluoro-1-methyl-3-propan-2-ylindole

6-fluoro-1-methyl-3-propan-2-ylindole (PubChem CID 58525499) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 6-fluoro-1-methyl-3-propan-2-ylindole.

Molecular Properties

Compound Name6-fluoro-1-methyl-3-propan-2-ylindole
PubChem CID58525499
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name6-fluoro-1-methyl-3-propan-2-ylindole
SMILESCC(C)c1cn(C)c2cc(F)ccc12
InChIInChI=1S/C12H14FN/c1-8(2)11-7-14(3)12-6-9(13)4-5-10(11)12/h4-8H,1-3H3
InChIKeyBUKRBVVHNFYDDN-UHFFFAOYSA-N
XLogP3.44
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-3-propan-2-ylindole?
The IUPAC name of 6-fluoro-1-methyl-3-propan-2-ylindole (CID 58525499) is 6-fluoro-1-methyl-3-propan-2-ylindole.
What is the SMILES notation for 6-fluoro-1-methyl-3-propan-2-ylindole?
The canonical SMILES for 6-fluoro-1-methyl-3-propan-2-ylindole is CC(C)c1cn(C)c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-1-methyl-3-propan-2-ylindole?
The InChIKey is BUKRBVVHNFYDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-8(2)11-7-14(3)12-6-9(13)4-5-10(11)12/h4-8H,1-3H3.
What are the key properties of 6-fluoro-1-methyl-3-propan-2-ylindole?
6-fluoro-1-methyl-3-propan-2-ylindole has a molecular weight of 191.25 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-3-propan-2-ylindole is sourced from PubChem (CID 58525499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).