(1R,3S)-1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-5,7-dimethyl-3-(trifluoromethyl)-1,2-dihydroindene

C26H24ClF3 — CID 139192185

IUPAC(1R,3S)-1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-5,7-dimethyl-3-(trifluoromethyl)-1,2-dihydroindene
SMILESCc1cc(C)cc([C@@]2(C(F)(F)F)C[C@H](c3ccc(Cl)cc3)c3c(C)cc(C)cc32)c1
InChIInChI=1S/C26H24ClF3/c1-15-9-16(2)12-20(11-15)25(26(28,29)30)14-22(19-5-7-21(27)8-6-19)24-18(4)10-17(3)13-23(24)25/h5-13,22H,14H2,1-4H3/t22-,25+/m1/s1
InChIKeyGKGKTMORJNIZMA-RDGATRHJSA-N
MW428.93 g/mol
LogP7.96
Rot. Bonds2

About (1R,3S)-1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-5,7-dimethyl-3-(trifluoromethyl)-1,2-dihydroindene

(1R,3S)-1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-5,7-dimethyl-3-(trifluoromethyl)-1,2-dihydroindene (PubChem CID 139192185) has the molecular formula C26H24ClF3 and a molecular weight of 428.93 g/mol. Its IUPAC name is (1R,3S)-1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-5,7-dimethyl-3-(trifluoromethyl)-1,2-dihydroindene.

Molecular Properties

Compound Name(1R,3S)-1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-5,7-dimethyl-3-(trifluoromethyl)-1,2-dihydroindene
PubChem CID139192185
Molecular FormulaC26H24ClF3
Molecular Weight428.93 g/mol
Exact Mass428.15
IUPAC Name(1R,3S)-1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-5,7-dimethyl-3-(trifluoromethyl)-1,2-dihydroindene
SMILESCc1cc(C)cc([C@@]2(C(F)(F)F)C[C@H](c3ccc(Cl)cc3)c3c(C)cc(C)cc32)c1
InChIInChI=1S/C26H24ClF3/c1-15-9-16(2)12-20(11-15)25(26(28,29)30)14-22(19-5-7-21(27)8-6-19)24-18(4)10-17(3)13-23(24)25/h5-13,22H,14H2,1-4H3/t22-,25+/m1/s1
InChIKeyGKGKTMORJNIZMA-RDGATRHJSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.93
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-5,7-dimethyl-3-(trifluoromethyl)-1,2-dihydroindene?
The IUPAC name of (1R,3S)-1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-5,7-dimethyl-3-(trifluoromethyl)-1,2-dihydroindene (CID 139192185) is (1R,3S)-1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-5,7-dimethyl-3-(trifluoromethyl)-1,2-dihydroindene.
What is the SMILES notation for (1R,3S)-1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-5,7-dimethyl-3-(trifluoromethyl)-1,2-dihydroindene?
The canonical SMILES for (1R,3S)-1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-5,7-dimethyl-3-(trifluoromethyl)-1,2-dihydroindene is Cc1cc(C)cc([C@@]2(C(F)(F)F)C[C@H](c3ccc(Cl)cc3)c3c(C)cc(C)cc32)c1.
What is the InChIKey of (1R,3S)-1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-5,7-dimethyl-3-(trifluoromethyl)-1,2-dihydroindene?
The InChIKey is GKGKTMORJNIZMA-RDGATRHJSA-N. The full InChI is InChI=1S/C26H24ClF3/c1-15-9-16(2)12-20(11-15)25(26(28,29)30)14-22(19-5-7-21(27)8-6-19)24-18(4)10-17(3)13-23(24)25/h5-13,22H,14H2,1-4H3/t22-,25+/m1/s1.
What are the key properties of (1R,3S)-1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-5,7-dimethyl-3-(trifluoromethyl)-1,2-dihydroindene?
(1R,3S)-1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-5,7-dimethyl-3-(trifluoromethyl)-1,2-dihydroindene has a molecular weight of 428.93 g/mol, XLogP of 7.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-5,7-dimethyl-3-(trifluoromethyl)-1,2-dihydroindene is sourced from PubChem (CID 139192185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).