5-fluoro-1,3-dimethyl-7-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindole

C11H15F4N — CID 123428093

IUPAC5-fluoro-1,3-dimethyl-7-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindole
SMILESCC1=CN(C)C2C1CC(F)CC2C(F)(F)F
InChIInChI=1S/C11H15F4N/c1-6-5-16(2)10-8(6)3-7(12)4-9(10)11(13,14)15/h5,7-10H,3-4H2,1-2H3
InChIKeyYKIWBLXWFAMKKC-UHFFFAOYSA-N
MW237.24 g/mol
LogP3.13
Rot. Bonds

About 5-fluoro-1,3-dimethyl-7-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindole

5-fluoro-1,3-dimethyl-7-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindole (PubChem CID 123428093) has the molecular formula C11H15F4N and a molecular weight of 237.24 g/mol. Its IUPAC name is 5-fluoro-1,3-dimethyl-7-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindole.

Molecular Properties

Compound Name5-fluoro-1,3-dimethyl-7-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindole
PubChem CID123428093
Molecular FormulaC11H15F4N
Molecular Weight237.24 g/mol
Exact Mass237.11
IUPAC Name5-fluoro-1,3-dimethyl-7-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindole
SMILESCC1=CN(C)C2C1CC(F)CC2C(F)(F)F
InChIInChI=1S/C11H15F4N/c1-6-5-16(2)10-8(6)3-7(12)4-9(10)11(13,14)15/h5,7-10H,3-4H2,1-2H3
InChIKeyYKIWBLXWFAMKKC-UHFFFAOYSA-N
XLogP3.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-fluoro-1,3-dimethyl-7-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindole 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 5-fluoro-1,3-dimethyl-7-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindole?
The IUPAC name of 5-fluoro-1,3-dimethyl-7-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindole (CID 123428093) is 5-fluoro-1,3-dimethyl-7-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindole.
What is the SMILES notation for 5-fluoro-1,3-dimethyl-7-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindole?
The canonical SMILES for 5-fluoro-1,3-dimethyl-7-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindole is CC1=CN(C)C2C1CC(F)CC2C(F)(F)F.
What is the InChIKey of 5-fluoro-1,3-dimethyl-7-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindole?
The InChIKey is YKIWBLXWFAMKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4N/c1-6-5-16(2)10-8(6)3-7(12)4-9(10)11(13,14)15/h5,7-10H,3-4H2,1-2H3.
What are the key properties of 5-fluoro-1,3-dimethyl-7-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindole?
5-fluoro-1,3-dimethyl-7-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindole has a molecular weight of 237.24 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-dimethyl-7-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindole is sourced from PubChem (CID 123428093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).