1-(trifluoromethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C10H15F3 — CID 66975260

IUPAC1-(trifluoromethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESFC(F)(F)C1CCC2CCCCC21
InChIInChI=1S/C10H15F3/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)9/h7-9H,1-6H2
InChIKeyYKWHNGFZYHBOEA-UHFFFAOYSA-N
MW192.22 g/mol
LogP3.77
Rot. Bonds

About 1-(trifluoromethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

1-(trifluoromethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 66975260) has the molecular formula C10H15F3 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-(trifluoromethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name1-(trifluoromethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID66975260
Molecular FormulaC10H15F3
Molecular Weight192.22 g/mol
Exact Mass192.11
IUPAC Name1-(trifluoromethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESFC(F)(F)C1CCC2CCCCC21
InChIInChI=1S/C10H15F3/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)9/h7-9H,1-6H2
InChIKeyYKWHNGFZYHBOEA-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 1-(trifluoromethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 66975260) is 1-(trifluoromethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 1-(trifluoromethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 1-(trifluoromethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is FC(F)(F)C1CCC2CCCCC21.
What is the InChIKey of 1-(trifluoromethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is YKWHNGFZYHBOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)9/h7-9H,1-6H2.
What are the key properties of 1-(trifluoromethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
1-(trifluoromethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 192.22 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 66975260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).