3-(2-fluoropropan-2-yl)-7-methyl-2,3-dihydro-1H-indole

C12H16FN — CID 84664963

IUPAC3-(2-fluoropropan-2-yl)-7-methyl-2,3-dihydro-1H-indole
SMILESCc1cccc2c1NCC2C(C)(C)F
InChIInChI=1S/C12H16FN/c1-8-5-4-6-9-10(12(2,3)13)7-14-11(8)9/h4-6,10,14H,7H2,1-3H3
InChIKeyHUBQKRVUODUDQD-UHFFFAOYSA-N
MW193.27 g/mol
LogP3.25
Rot. Bonds1

About 3-(2-fluoropropan-2-yl)-7-methyl-2,3-dihydro-1H-indole

3-(2-fluoropropan-2-yl)-7-methyl-2,3-dihydro-1H-indole (PubChem CID 84664963) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)-7-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)-7-methyl-2,3-dihydro-1H-indole
PubChem CID84664963
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name3-(2-fluoropropan-2-yl)-7-methyl-2,3-dihydro-1H-indole
SMILESCc1cccc2c1NCC2C(C)(C)F
InChIInChI=1S/C12H16FN/c1-8-5-4-6-9-10(12(2,3)13)7-14-11(8)9/h4-6,10,14H,7H2,1-3H3
InChIKeyHUBQKRVUODUDQD-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2-fluoropropan-2-yl)-7-methyl-2,3-dihydro-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)-7-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 3-(2-fluoropropan-2-yl)-7-methyl-2,3-dihydro-1H-indole (CID 84664963) is 3-(2-fluoropropan-2-yl)-7-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)-7-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(2-fluoropropan-2-yl)-7-methyl-2,3-dihydro-1H-indole is Cc1cccc2c1NCC2C(C)(C)F.
What is the InChIKey of 3-(2-fluoropropan-2-yl)-7-methyl-2,3-dihydro-1H-indole?
The InChIKey is HUBQKRVUODUDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-8-5-4-6-9-10(12(2,3)13)7-14-11(8)9/h4-6,10,14H,7H2,1-3H3.
What are the key properties of 3-(2-fluoropropan-2-yl)-7-methyl-2,3-dihydro-1H-indole?
3-(2-fluoropropan-2-yl)-7-methyl-2,3-dihydro-1H-indole has a molecular weight of 193.27 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropan-2-yl)-7-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 84664963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).