6-fluoro-3-(4-fluorophenyl)-1-(2-methyl-1-phenylprop-1-enyl)-1H-indene

C25H20F2 — CID 135068487

IUPAC6-fluoro-3-(4-fluorophenyl)-1-(2-methyl-1-phenylprop-1-enyl)-1H-indene
SMILESCC(C)=C(c1ccccc1)C1C=C(c2ccc(F)cc2)c2ccc(F)cc21
InChIInChI=1S/C25H20F2/c1-16(2)25(18-6-4-3-5-7-18)24-15-22(17-8-10-19(26)11-9-17)21-13-12-20(27)14-23(21)24/h3-15,24H,1-2H3
InChIKeyUXLKONKYLIXZNI-UHFFFAOYSA-N
MW358.43 g/mol
LogP6.99
Rot. Bonds3

About 6-fluoro-3-(4-fluorophenyl)-1-(2-methyl-1-phenylprop-1-enyl)-1H-indene

6-fluoro-3-(4-fluorophenyl)-1-(2-methyl-1-phenylprop-1-enyl)-1H-indene (PubChem CID 135068487) has the molecular formula C25H20F2 and a molecular weight of 358.43 g/mol. Its IUPAC name is 6-fluoro-3-(4-fluorophenyl)-1-(2-methyl-1-phenylprop-1-enyl)-1H-indene.

Molecular Properties

Compound Name6-fluoro-3-(4-fluorophenyl)-1-(2-methyl-1-phenylprop-1-enyl)-1H-indene
PubChem CID135068487
Molecular FormulaC25H20F2
Molecular Weight358.43 g/mol
Exact Mass358.15
IUPAC Name6-fluoro-3-(4-fluorophenyl)-1-(2-methyl-1-phenylprop-1-enyl)-1H-indene
SMILESCC(C)=C(c1ccccc1)C1C=C(c2ccc(F)cc2)c2ccc(F)cc21
InChIInChI=1S/C25H20F2/c1-16(2)25(18-6-4-3-5-7-18)24-15-22(17-8-10-19(26)11-9-17)21-13-12-20(27)14-23(21)24/h3-15,24H,1-2H3
InChIKeyUXLKONKYLIXZNI-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.43
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(4-fluorophenyl)-1-(2-methyl-1-phenylprop-1-enyl)-1H-indene?
The IUPAC name of 6-fluoro-3-(4-fluorophenyl)-1-(2-methyl-1-phenylprop-1-enyl)-1H-indene (CID 135068487) is 6-fluoro-3-(4-fluorophenyl)-1-(2-methyl-1-phenylprop-1-enyl)-1H-indene.
What is the SMILES notation for 6-fluoro-3-(4-fluorophenyl)-1-(2-methyl-1-phenylprop-1-enyl)-1H-indene?
The canonical SMILES for 6-fluoro-3-(4-fluorophenyl)-1-(2-methyl-1-phenylprop-1-enyl)-1H-indene is CC(C)=C(c1ccccc1)C1C=C(c2ccc(F)cc2)c2ccc(F)cc21.
What is the InChIKey of 6-fluoro-3-(4-fluorophenyl)-1-(2-methyl-1-phenylprop-1-enyl)-1H-indene?
The InChIKey is UXLKONKYLIXZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2/c1-16(2)25(18-6-4-3-5-7-18)24-15-22(17-8-10-19(26)11-9-17)21-13-12-20(27)14-23(21)24/h3-15,24H,1-2H3.
What are the key properties of 6-fluoro-3-(4-fluorophenyl)-1-(2-methyl-1-phenylprop-1-enyl)-1H-indene?
6-fluoro-3-(4-fluorophenyl)-1-(2-methyl-1-phenylprop-1-enyl)-1H-indene has a molecular weight of 358.43 g/mol, XLogP of 6.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(4-fluorophenyl)-1-(2-methyl-1-phenylprop-1-enyl)-1H-indene is sourced from PubChem (CID 135068487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).