5-[4-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H-inden-2-yl]-2,3-dimethylfuran

C24H18F6O — CID 87358858

IUPAC5-[4-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H-inden-2-yl]-2,3-dimethylfuran
SMILESCc1cc(C2=Cc3c(ccc(C)c3-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)oc1C
InChIInChI=1S/C24H18F6O/c1-12-4-5-15-7-16(21-6-13(2)14(3)31-21)10-20(15)22(12)17-8-18(23(25,26)27)11-19(9-17)24(28,29)30/h4-6,8-11H,7H2,1-3H3
InChIKeyXNUPOYYRMHAXSV-UHFFFAOYSA-N
MW436.40 g/mol
LogP8.01
Rot. Bonds2

About 5-[4-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H-inden-2-yl]-2,3-dimethylfuran

5-[4-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H-inden-2-yl]-2,3-dimethylfuran (PubChem CID 87358858) has the molecular formula C24H18F6O and a molecular weight of 436.40 g/mol. Its IUPAC name is 5-[4-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H-inden-2-yl]-2,3-dimethylfuran.

Molecular Properties

Compound Name5-[4-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H-inden-2-yl]-2,3-dimethylfuran
PubChem CID87358858
Molecular FormulaC24H18F6O
Molecular Weight436.40 g/mol
Exact Mass436.13
IUPAC Name5-[4-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H-inden-2-yl]-2,3-dimethylfuran
SMILESCc1cc(C2=Cc3c(ccc(C)c3-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)oc1C
InChIInChI=1S/C24H18F6O/c1-12-4-5-15-7-16(21-6-13(2)14(3)31-21)10-20(15)22(12)17-8-18(23(25,26)27)11-19(9-17)24(28,29)30/h4-6,8-11H,7H2,1-3H3
InChIKeyXNUPOYYRMHAXSV-UHFFFAOYSA-N
XLogP8.01
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.40
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[3,5-bis(trifluoromethyl)phenyl]-5-ethyl-1H-inden-2-yl]-5-methylfuran
CID 87358907
2-[4-(4-ethylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran
CID 87358530
2-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran
CID 67328464
4-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropyl)-5-propan-2-yl-1H-indene
CID 87703074
4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene;carbanide;zirconium(2+)
CID 175436498
[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine
CID 121237669
2-[4-(4-tert-butylphenyl)-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran;dichlorozirconium
CID 174822797
2,5-dimethyl-4-phenyl-1H-indene
CID 173229793
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
2-bromo-4-[3,5-di(propan-2-yl)phenyl]-5-methyl-1H-indene
CID 67328501
4-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-1H-indene
CID 141047271
2-[2,3,4,5,6-pentakis[5-[4-(trifluoromethyl)phenyl]furan-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]furan
CID 71615619

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H-inden-2-yl]-2,3-dimethylfuran?
The IUPAC name of 5-[4-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H-inden-2-yl]-2,3-dimethylfuran (CID 87358858) is 5-[4-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H-inden-2-yl]-2,3-dimethylfuran.
What is the SMILES notation for 5-[4-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H-inden-2-yl]-2,3-dimethylfuran?
The canonical SMILES for 5-[4-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H-inden-2-yl]-2,3-dimethylfuran is Cc1cc(C2=Cc3c(ccc(C)c3-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)oc1C.
What is the InChIKey of 5-[4-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H-inden-2-yl]-2,3-dimethylfuran?
The InChIKey is XNUPOYYRMHAXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F6O/c1-12-4-5-15-7-16(21-6-13(2)14(3)31-21)10-20(15)22(12)17-8-18(23(25,26)27)11-19(9-17)24(28,29)30/h4-6,8-11H,7H2,1-3H3.
What are the key properties of 5-[4-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H-inden-2-yl]-2,3-dimethylfuran?
5-[4-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H-inden-2-yl]-2,3-dimethylfuran has a molecular weight of 436.40 g/mol, XLogP of 8.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H-inden-2-yl]-2,3-dimethylfuran is sourced from PubChem (CID 87358858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).