3,3,4-trifluoro-6-methyl-1,2,3a,4,5,6,7,7a-octahydroindene

C10H15F3 — CID 135191798

IUPAC3,3,4-trifluoro-6-methyl-1,2,3a,4,5,6,7,7a-octahydroindene
SMILESCC1CC(F)C2C(CCC2(F)F)C1
InChIInChI=1S/C10H15F3/c1-6-4-7-2-3-10(12,13)9(7)8(11)5-6/h6-9H,2-5H2,1H3
InChIKeyPEHJDGSBDIZRLA-UHFFFAOYSA-N
MW192.22 g/mol
LogP3.42
Rot. Bonds

About 3,3,4-trifluoro-6-methyl-1,2,3a,4,5,6,7,7a-octahydroindene

3,3,4-trifluoro-6-methyl-1,2,3a,4,5,6,7,7a-octahydroindene (PubChem CID 135191798) has the molecular formula C10H15F3 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3,3,4-trifluoro-6-methyl-1,2,3a,4,5,6,7,7a-octahydroindene.

Molecular Properties

Compound Name3,3,4-trifluoro-6-methyl-1,2,3a,4,5,6,7,7a-octahydroindene
PubChem CID135191798
Molecular FormulaC10H15F3
Molecular Weight192.22 g/mol
Exact Mass192.11
IUPAC Name3,3,4-trifluoro-6-methyl-1,2,3a,4,5,6,7,7a-octahydroindene
SMILESCC1CC(F)C2C(CCC2(F)F)C1
InChIInChI=1S/C10H15F3/c1-6-4-7-2-3-10(12,13)9(7)8(11)5-6/h6-9H,2-5H2,1H3
InChIKeyPEHJDGSBDIZRLA-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3,4-trifluoro-6-methyl-1,2,3a,4,5,6,7,7a-octahydroindene?
The IUPAC name of 3,3,4-trifluoro-6-methyl-1,2,3a,4,5,6,7,7a-octahydroindene (CID 135191798) is 3,3,4-trifluoro-6-methyl-1,2,3a,4,5,6,7,7a-octahydroindene.
What is the SMILES notation for 3,3,4-trifluoro-6-methyl-1,2,3a,4,5,6,7,7a-octahydroindene?
The canonical SMILES for 3,3,4-trifluoro-6-methyl-1,2,3a,4,5,6,7,7a-octahydroindene is CC1CC(F)C2C(CCC2(F)F)C1.
What is the InChIKey of 3,3,4-trifluoro-6-methyl-1,2,3a,4,5,6,7,7a-octahydroindene?
The InChIKey is PEHJDGSBDIZRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3/c1-6-4-7-2-3-10(12,13)9(7)8(11)5-6/h6-9H,2-5H2,1H3.
What are the key properties of 3,3,4-trifluoro-6-methyl-1,2,3a,4,5,6,7,7a-octahydroindene?
3,3,4-trifluoro-6-methyl-1,2,3a,4,5,6,7,7a-octahydroindene has a molecular weight of 192.22 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trifluoro-6-methyl-1,2,3a,4,5,6,7,7a-octahydroindene is sourced from PubChem (CID 135191798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).