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

C15H14FN — CID 116698427

IUPAC6-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-indole
SMILESCc1ccc(F)cc1-c1ccc2c(c1)NCC2
InChIInChI=1S/C15H14FN/c1-10-2-5-13(16)9-14(10)12-4-3-11-6-7-17-15(11)8-12/h2-5,8-9,17H,6-7H2,1H3
InChIKeyNCKCQXGIDXKUBP-UHFFFAOYSA-N
MW227.28 g/mol
LogP3.77
Rot. Bonds1

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

6-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-indole (PubChem CID 116698427) has the molecular formula C15H14FN and a molecular weight of 227.28 g/mol. Its IUPAC name is 6-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-indole
PubChem CID116698427
Molecular FormulaC15H14FN
Molecular Weight227.28 g/mol
Exact Mass227.11
IUPAC Name6-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-indole
SMILESCc1ccc(F)cc1-c1ccc2c(c1)NCC2
InChIInChI=1S/C15H14FN/c1-10-2-5-13(16)9-14(10)12-4-3-11-6-7-17-15(11)8-12/h2-5,8-9,17H,6-7H2,1H3
InChIKeyNCKCQXGIDXKUBP-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 6-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-indole (CID 116698427) is 6-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 6-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-indole is Cc1ccc(F)cc1-c1ccc2c(c1)NCC2.
What is the InChIKey of 6-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is NCKCQXGIDXKUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN/c1-10-2-5-13(16)9-14(10)12-4-3-11-6-7-17-15(11)8-12/h2-5,8-9,17H,6-7H2,1H3.
What are the key properties of 6-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-indole?
6-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-indole has a molecular weight of 227.28 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 116698427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).