4-tert-butyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene

C14H17F3 — CID 155459340

IUPAC4-tert-butyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene
SMILESCC(C)(C)c1cc(C(F)(F)F)cc2c1CCC2
InChIInChI=1S/C14H17F3/c1-13(2,3)12-8-10(14(15,16)17)7-9-5-4-6-11(9)12/h7-8H,4-6H2,1-3H3
InChIKeyBUKXMAZMDRZNHW-UHFFFAOYSA-N
MW242.28 g/mol
LogP4.49
Rot. Bonds

About 4-tert-butyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene

4-tert-butyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene (PubChem CID 155459340) has the molecular formula C14H17F3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-tert-butyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-tert-butyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene
PubChem CID155459340
Molecular FormulaC14H17F3
Molecular Weight242.28 g/mol
Exact Mass242.13
IUPAC Name4-tert-butyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene
SMILESCC(C)(C)c1cc(C(F)(F)F)cc2c1CCC2
InChIInChI=1S/C14H17F3/c1-13(2,3)12-8-10(14(15,16)17)7-9-5-4-6-11(9)12/h7-8H,4-6H2,1-3H3
InChIKeyBUKXMAZMDRZNHW-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene?
The IUPAC name of 4-tert-butyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene (CID 155459340) is 4-tert-butyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-tert-butyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 4-tert-butyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene is CC(C)(C)c1cc(C(F)(F)F)cc2c1CCC2.
What is the InChIKey of 4-tert-butyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene?
The InChIKey is BUKXMAZMDRZNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3/c1-13(2,3)12-8-10(14(15,16)17)7-9-5-4-6-11(9)12/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-tert-butyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene?
4-tert-butyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene has a molecular weight of 242.28 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 155459340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).