(1R,3R)-4,5,7-trimethyl-3-(4-methylphenyl)-1-(trifluoromethyl)-2,3-dihydro-1H-indene

C20H21F3 — CID 139094457

IUPAC(1R,3R)-4,5,7-trimethyl-3-(4-methylphenyl)-1-(trifluoromethyl)-2,3-dihydro-1H-indene
SMILESCc1ccc([C@H]2C[C@@H](C(F)(F)F)c3c(C)cc(C)c(C)c32)cc1
InChIInChI=1S/C20H21F3/c1-11-5-7-15(8-6-11)16-10-17(20(21,22)23)18-13(3)9-12(2)14(4)19(16)18/h5-9,16-17H,10H2,1-4H3/t16-,17-/m1/s1
InChIKeyLASCNHZCESVBDM-IAGOWNOFSA-N
MW318.38 g/mol
LogP6.10
Rot. Bonds1

About (1R,3R)-4,5,7-trimethyl-3-(4-methylphenyl)-1-(trifluoromethyl)-2,3-dihydro-1H-indene

(1R,3R)-4,5,7-trimethyl-3-(4-methylphenyl)-1-(trifluoromethyl)-2,3-dihydro-1H-indene (PubChem CID 139094457) has the molecular formula C20H21F3 and a molecular weight of 318.38 g/mol. Its IUPAC name is (1R,3R)-4,5,7-trimethyl-3-(4-methylphenyl)-1-(trifluoromethyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1R,3R)-4,5,7-trimethyl-3-(4-methylphenyl)-1-(trifluoromethyl)-2,3-dihydro-1H-indene
PubChem CID139094457
Molecular FormulaC20H21F3
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name(1R,3R)-4,5,7-trimethyl-3-(4-methylphenyl)-1-(trifluoromethyl)-2,3-dihydro-1H-indene
SMILESCc1ccc([C@H]2C[C@@H](C(F)(F)F)c3c(C)cc(C)c(C)c32)cc1
InChIInChI=1S/C20H21F3/c1-11-5-7-15(8-6-11)16-10-17(20(21,22)23)18-13(3)9-12(2)14(4)19(16)18/h5-9,16-17H,10H2,1-4H3/t16-,17-/m1/s1
InChIKeyLASCNHZCESVBDM-IAGOWNOFSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.38
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Benzene, 1,2-dimethyl-4-(1-phenylethyl)-
CID 22570
1,1-Bis(3,4-dimethylphenyl)ethane
CID 74448
9-Methylfluorene
CID 17299
2,3-Dihydro-1,1,3-trimethyl-3-phenyl-1H-indene
CID 19793
1H-Indene, 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-
CID 77154
1-Methylfluorene
CID 15604
1-Phenyl-1-(2,4-xylyl)ethane
CID 93022
2-Methylfluorene
CID 15026
2-Ethyl-9H-fluorene
CID 274939
1,1,5,6-tetramethyl-2,3-dihydro-1H-indene
CID 523106
1H-Indene, 2,3-dihydro-1,1,2,3,3,5-hexamethyl-
CID 95520
1,9-Dimethylfluorene
CID 28227

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-4,5,7-trimethyl-3-(4-methylphenyl)-1-(trifluoromethyl)-2,3-dihydro-1H-indene?
The IUPAC name of (1R,3R)-4,5,7-trimethyl-3-(4-methylphenyl)-1-(trifluoromethyl)-2,3-dihydro-1H-indene (CID 139094457) is (1R,3R)-4,5,7-trimethyl-3-(4-methylphenyl)-1-(trifluoromethyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for (1R,3R)-4,5,7-trimethyl-3-(4-methylphenyl)-1-(trifluoromethyl)-2,3-dihydro-1H-indene?
The canonical SMILES for (1R,3R)-4,5,7-trimethyl-3-(4-methylphenyl)-1-(trifluoromethyl)-2,3-dihydro-1H-indene is Cc1ccc([C@H]2C[C@@H](C(F)(F)F)c3c(C)cc(C)c(C)c32)cc1.
What is the InChIKey of (1R,3R)-4,5,7-trimethyl-3-(4-methylphenyl)-1-(trifluoromethyl)-2,3-dihydro-1H-indene?
The InChIKey is LASCNHZCESVBDM-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H21F3/c1-11-5-7-15(8-6-11)16-10-17(20(21,22)23)18-13(3)9-12(2)14(4)19(16)18/h5-9,16-17H,10H2,1-4H3/t16-,17-/m1/s1.
What are the key properties of (1R,3R)-4,5,7-trimethyl-3-(4-methylphenyl)-1-(trifluoromethyl)-2,3-dihydro-1H-indene?
(1R,3R)-4,5,7-trimethyl-3-(4-methylphenyl)-1-(trifluoromethyl)-2,3-dihydro-1H-indene has a molecular weight of 318.38 g/mol, XLogP of 6.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-4,5,7-trimethyl-3-(4-methylphenyl)-1-(trifluoromethyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 139094457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).