5-(4-fluoro-2,6-dimethylphenyl)-2,3-dihydro-1H-indole

C16H16FN — CID 106878936

IUPAC5-(4-fluoro-2,6-dimethylphenyl)-2,3-dihydro-1H-indole
SMILESCc1cc(F)cc(C)c1-c1ccc2c(c1)CCN2
InChIInChI=1S/C16H16FN/c1-10-7-14(17)8-11(2)16(10)13-3-4-15-12(9-13)5-6-18-15/h3-4,7-9,18H,5-6H2,1-2H3
InChIKeyQHZJHGYKVLQZDQ-UHFFFAOYSA-N
MW241.31 g/mol
LogP4.08
Rot. Bonds1

About 5-(4-fluoro-2,6-dimethylphenyl)-2,3-dihydro-1H-indole

5-(4-fluoro-2,6-dimethylphenyl)-2,3-dihydro-1H-indole (PubChem CID 106878936) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is 5-(4-fluoro-2,6-dimethylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(4-fluoro-2,6-dimethylphenyl)-2,3-dihydro-1H-indole
PubChem CID106878936
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name5-(4-fluoro-2,6-dimethylphenyl)-2,3-dihydro-1H-indole
SMILESCc1cc(F)cc(C)c1-c1ccc2c(c1)CCN2
InChIInChI=1S/C16H16FN/c1-10-7-14(17)8-11(2)16(10)13-3-4-15-12(9-13)5-6-18-15/h3-4,7-9,18H,5-6H2,1-2H3
InChIKeyQHZJHGYKVLQZDQ-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2,6-dimethylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-(4-fluoro-2,6-dimethylphenyl)-2,3-dihydro-1H-indole (CID 106878936) is 5-(4-fluoro-2,6-dimethylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(4-fluoro-2,6-dimethylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(4-fluoro-2,6-dimethylphenyl)-2,3-dihydro-1H-indole is Cc1cc(F)cc(C)c1-c1ccc2c(c1)CCN2.
What is the InChIKey of 5-(4-fluoro-2,6-dimethylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is QHZJHGYKVLQZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN/c1-10-7-14(17)8-11(2)16(10)13-3-4-15-12(9-13)5-6-18-15/h3-4,7-9,18H,5-6H2,1-2H3.
What are the key properties of 5-(4-fluoro-2,6-dimethylphenyl)-2,3-dihydro-1H-indole?
5-(4-fluoro-2,6-dimethylphenyl)-2,3-dihydro-1H-indole has a molecular weight of 241.31 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2,6-dimethylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 106878936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).