2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene

C13H15F3 — CID 162490775

IUPAC2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene
SMILESCC(C)C1Cc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C13H15F3/c1-8(2)10-5-9-3-4-12(13(14,15)16)7-11(9)6-10/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyMEXDMIGTVAJCER-UHFFFAOYSA-N
MW228.26 g/mol
LogP4.08
Rot. Bonds1

About 2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene

2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene (PubChem CID 162490775) has the molecular formula C13H15F3 and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene
PubChem CID162490775
Molecular FormulaC13H15F3
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene
SMILESCC(C)C1Cc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C13H15F3/c1-8(2)10-5-9-3-4-12(13(14,15)16)7-11(9)6-10/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyMEXDMIGTVAJCER-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 63386100
2-hydroxy-2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 54177123
[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine
CID 115029003
(5S)-5-propan-2-yl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 170289723
2-propan-2-yl-2,3-dihydro-1H-indene-5-carbaldehyde
CID 15917866
2-methoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 163458109
(2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 131605067
2-(3-bromophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 172603248
1-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethanol
CID 117202643
[2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine
CID 103505205
2-bromo-4-methyl-6-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]pyridine
CID 172602822
1-[1,1-dioxo-5-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-2-yl]ethanamine
CID 117200583

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene?
The IUPAC name of 2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene (CID 162490775) is 2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene is CC(C)C1Cc2ccc(C(F)(F)F)cc2C1.
What is the InChIKey of 2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene?
The InChIKey is MEXDMIGTVAJCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3/c1-8(2)10-5-9-3-4-12(13(14,15)16)7-11(9)6-10/h3-4,7-8,10H,5-6H2,1-2H3.
What are the key properties of 2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene?
2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene has a molecular weight of 228.26 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 162490775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).