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

C24H18F6O — CID 87358907

IUPAC2-[4-[3,5-bis(trifluoromethyl)phenyl]-5-ethyl-1H-inden-2-yl]-5-methylfuran
SMILESCCc1ccc2c(c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C=C(c1ccc(C)o1)C2
InChIInChI=1S/C24H18F6O/c1-3-14-5-6-15-8-16(21-7-4-13(2)31-21)11-20(15)22(14)17-9-18(23(25,26)27)12-19(10-17)24(28,29)30/h4-7,9-12H,3,8H2,1-2H3
InChIKeyXWFJJHILWCPSTC-UHFFFAOYSA-N
MW436.40 g/mol
LogP7.95
Rot. Bonds3

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

2-[4-[3,5-bis(trifluoromethyl)phenyl]-5-ethyl-1H-inden-2-yl]-5-methylfuran (PubChem CID 87358907) has the molecular formula C24H18F6O and a molecular weight of 436.40 g/mol. Its IUPAC name is 2-[4-[3,5-bis(trifluoromethyl)phenyl]-5-ethyl-1H-inden-2-yl]-5-methylfuran.

Molecular Properties

Compound Name2-[4-[3,5-bis(trifluoromethyl)phenyl]-5-ethyl-1H-inden-2-yl]-5-methylfuran
PubChem CID87358907
Molecular FormulaC24H18F6O
Molecular Weight436.40 g/mol
Exact Mass436.13
IUPAC Name2-[4-[3,5-bis(trifluoromethyl)phenyl]-5-ethyl-1H-inden-2-yl]-5-methylfuran
SMILESCCc1ccc2c(c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C=C(c1ccc(C)o1)C2
InChIInChI=1S/C24H18F6O/c1-3-14-5-6-15-8-16(21-7-4-13(2)31-21)11-20(15)22(14)17-9-18(23(25,26)27)12-19(10-17)24(28,29)30/h4-7,9-12H,3,8H2,1-2H3
InChIKeyXWFJJHILWCPSTC-UHFFFAOYSA-N
XLogP7.95
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.40
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,5-bis(trifluoromethyl)phenyl]-5-ethyl-1H-inden-2-yl]-5-methylfuran?
The IUPAC name of 2-[4-[3,5-bis(trifluoromethyl)phenyl]-5-ethyl-1H-inden-2-yl]-5-methylfuran (CID 87358907) is 2-[4-[3,5-bis(trifluoromethyl)phenyl]-5-ethyl-1H-inden-2-yl]-5-methylfuran.
What is the SMILES notation for 2-[4-[3,5-bis(trifluoromethyl)phenyl]-5-ethyl-1H-inden-2-yl]-5-methylfuran?
The canonical SMILES for 2-[4-[3,5-bis(trifluoromethyl)phenyl]-5-ethyl-1H-inden-2-yl]-5-methylfuran is CCc1ccc2c(c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C=C(c1ccc(C)o1)C2.
What is the InChIKey of 2-[4-[3,5-bis(trifluoromethyl)phenyl]-5-ethyl-1H-inden-2-yl]-5-methylfuran?
The InChIKey is XWFJJHILWCPSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F6O/c1-3-14-5-6-15-8-16(21-7-4-13(2)31-21)11-20(15)22(14)17-9-18(23(25,26)27)12-19(10-17)24(28,29)30/h4-7,9-12H,3,8H2,1-2H3.
What are the key properties of 2-[4-[3,5-bis(trifluoromethyl)phenyl]-5-ethyl-1H-inden-2-yl]-5-methylfuran?
2-[4-[3,5-bis(trifluoromethyl)phenyl]-5-ethyl-1H-inden-2-yl]-5-methylfuran has a molecular weight of 436.40 g/mol, XLogP of 7.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3,5-bis(trifluoromethyl)phenyl]-5-ethyl-1H-inden-2-yl]-5-methylfuran is sourced from PubChem (CID 87358907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).