4-methyl-8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacene

C14H15F3 — CID 146911957

IUPAC4-methyl-8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacene
SMILESCc1c2c(c(C(F)(F)F)c3c1CCC3)CCC2
InChIInChI=1S/C14H15F3/c1-8-9-4-2-6-11(9)13(14(15,16)17)12-7-3-5-10(8)12/h2-7H2,1H3
InChIKeyABMGMRLKANZWKE-UHFFFAOYSA-N
MW240.27 g/mol
LogP3.99
Rot. Bonds

About 4-methyl-8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacene

4-methyl-8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacene (PubChem CID 146911957) has the molecular formula C14H15F3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-methyl-8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacene.

Molecular Properties

Compound Name4-methyl-8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacene
PubChem CID146911957
Molecular FormulaC14H15F3
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name4-methyl-8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacene
SMILESCc1c2c(c(C(F)(F)F)c3c1CCC3)CCC2
InChIInChI=1S/C14H15F3/c1-8-9-4-2-6-11(9)13(14(15,16)17)12-7-3-5-10(8)12/h2-7H2,1H3
InChIKeyABMGMRLKANZWKE-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-methyl-8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacene 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 4-methyl-8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacene?
The IUPAC name of 4-methyl-8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacene (CID 146911957) is 4-methyl-8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacene.
What is the SMILES notation for 4-methyl-8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacene?
The canonical SMILES for 4-methyl-8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacene is Cc1c2c(c(C(F)(F)F)c3c1CCC3)CCC2.
What is the InChIKey of 4-methyl-8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacene?
The InChIKey is ABMGMRLKANZWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3/c1-8-9-4-2-6-11(9)13(14(15,16)17)12-7-3-5-10(8)12/h2-7H2,1H3.
What are the key properties of 4-methyl-8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacene?
4-methyl-8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacene has a molecular weight of 240.27 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacene is sourced from PubChem (CID 146911957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).