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

C12H13F3 — CID 172602890

IUPAC4-ethyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene
SMILESCCc1cc(C(F)(F)F)cc2c1CCC2
InChIInChI=1S/C12H13F3/c1-2-8-6-10(12(13,14)15)7-9-4-3-5-11(8)9/h6-7H,2-5H2,1H3
InChIKeyDFYRANHQGWGTAS-UHFFFAOYSA-N
MW214.23 g/mol
LogP3.76
Rot. Bonds1

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

4-ethyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene (PubChem CID 172602890) has the molecular formula C12H13F3 and a molecular weight of 214.23 g/mol. Its IUPAC name is 4-ethyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-ethyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene
PubChem CID172602890
Molecular FormulaC12H13F3
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name4-ethyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene
SMILESCCc1cc(C(F)(F)F)cc2c1CCC2
InChIInChI=1S/C12H13F3/c1-2-8-6-10(12(13,14)15)7-9-4-3-5-11(8)9/h6-7H,2-5H2,1H3
InChIKeyDFYRANHQGWGTAS-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-tert-butyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 155459340
7-tert-butyl-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 130466939
7-[3,5-bis(trifluoromethyl)phenyl]-5-[3-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene
CID 175883342
7-tert-butyl-5-ethyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 171575407
5-ethyl-6-(fluoromethyl)-2,3-dihydro-1H-indene
CID 170343572
2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid
CID 66707586
7-tert-butyl-2,5-diethyl-3,4-dihydro-1H-isoquinoline
CID 167248456
1-(chloromethyl)-2-ethyl-3,5-bis(trifluoromethyl)benzene
CID 135742809
[1-[2-[bis(3,5-diethyl-4-fluorophenyl)-hydroxymethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3,5-diethyl-4-fluorophenyl)methanol
CID 102215020
1-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 131276925
3-ethyl-2-propyl-5-(trifluoromethyl)pyridine
CID 144510564
2-[3-(trifluoromethylsulfonyloxy)-5,6,7,8-tetrahydronaphthalen-1-yl]acetic acid
CID 18770876

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene?
The IUPAC name of 4-ethyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene (CID 172602890) is 4-ethyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-ethyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 4-ethyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene is CCc1cc(C(F)(F)F)cc2c1CCC2.
What is the InChIKey of 4-ethyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene?
The InChIKey is DFYRANHQGWGTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3/c1-2-8-6-10(12(13,14)15)7-9-4-3-5-11(8)9/h6-7H,2-5H2,1H3.
What are the key properties of 4-ethyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene?
4-ethyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene has a molecular weight of 214.23 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 172602890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).