6-fluoro-3a-methyl-2-phenyl-1,4-dihydroindole

C15H14FN — CID 154961020

IUPAC6-fluoro-3a-methyl-2-phenyl-1,4-dihydroindole
SMILESCC12C=C(c3ccccc3)NC1=CC(F)=CC2
InChIInChI=1S/C15H14FN/c1-15-8-7-12(16)9-14(15)17-13(10-15)11-5-3-2-4-6-11/h2-7,9-10,17H,8H2,1H3
InChIKeySCJBXTHTWYWZTK-UHFFFAOYSA-N
MW227.28 g/mol
LogP3.78
Rot. Bonds1

About 6-fluoro-3a-methyl-2-phenyl-1,4-dihydroindole

6-fluoro-3a-methyl-2-phenyl-1,4-dihydroindole (PubChem CID 154961020) has the molecular formula C15H14FN and a molecular weight of 227.28 g/mol. Its IUPAC name is 6-fluoro-3a-methyl-2-phenyl-1,4-dihydroindole.

Molecular Properties

Compound Name6-fluoro-3a-methyl-2-phenyl-1,4-dihydroindole
PubChem CID154961020
Molecular FormulaC15H14FN
Molecular Weight227.28 g/mol
Exact Mass227.11
IUPAC Name6-fluoro-3a-methyl-2-phenyl-1,4-dihydroindole
SMILESCC12C=C(c3ccccc3)NC1=CC(F)=CC2
InChIInChI=1S/C15H14FN/c1-15-8-7-12(16)9-14(15)17-13(10-15)11-5-3-2-4-6-11/h2-7,9-10,17H,8H2,1H3
InChIKeySCJBXTHTWYWZTK-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3a-methyl-2-phenyl-1,4-dihydroindole?
The IUPAC name of 6-fluoro-3a-methyl-2-phenyl-1,4-dihydroindole (CID 154961020) is 6-fluoro-3a-methyl-2-phenyl-1,4-dihydroindole.
What is the SMILES notation for 6-fluoro-3a-methyl-2-phenyl-1,4-dihydroindole?
The canonical SMILES for 6-fluoro-3a-methyl-2-phenyl-1,4-dihydroindole is CC12C=C(c3ccccc3)NC1=CC(F)=CC2.
What is the InChIKey of 6-fluoro-3a-methyl-2-phenyl-1,4-dihydroindole?
The InChIKey is SCJBXTHTWYWZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN/c1-15-8-7-12(16)9-14(15)17-13(10-15)11-5-3-2-4-6-11/h2-7,9-10,17H,8H2,1H3.
What are the key properties of 6-fluoro-3a-methyl-2-phenyl-1,4-dihydroindole?
6-fluoro-3a-methyl-2-phenyl-1,4-dihydroindole has a molecular weight of 227.28 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3a-methyl-2-phenyl-1,4-dihydroindole is sourced from PubChem (CID 154961020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).