5-[3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propoxy]-2,3-dihydro-1H-indene

C26H25F3O3 — CID 14500179

IUPAC5-[3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propoxy]-2,3-dihydro-1H-indene
SMILESFC(F)(F)C(COCc1cccc(Oc2ccccc2)c1)COc1ccc2c(c1)CCC2
InChIInChI=1S/C26H25F3O3/c27-26(28,29)22(18-31-24-13-12-20-7-5-8-21(20)15-24)17-30-16-19-6-4-11-25(14-19)32-23-9-2-1-3-10-23/h1-4,6,9-15,22H,5,7-8,16-18H2
InChIKeyDVLYPQZNENSYAW-UHFFFAOYSA-N
MW442.48 g/mol
LogP6.74
Rot. Bonds9

About 5-[3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propoxy]-2,3-dihydro-1H-indene

5-[3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propoxy]-2,3-dihydro-1H-indene (PubChem CID 14500179) has the molecular formula C26H25F3O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is 5-[3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propoxy]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propoxy]-2,3-dihydro-1H-indene
PubChem CID14500179
Molecular FormulaC26H25F3O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC Name5-[3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propoxy]-2,3-dihydro-1H-indene
SMILESFC(F)(F)C(COCc1cccc(Oc2ccccc2)c1)COc1ccc2c(c1)CCC2
InChIInChI=1S/C26H25F3O3/c27-26(28,29)22(18-31-24-13-12-20-7-5-8-21(20)15-24)17-30-16-19-6-4-11-25(14-19)32-23-9-2-1-3-10-23/h1-4,6,9-15,22H,5,7-8,16-18H2
InChIKeyDVLYPQZNENSYAW-UHFFFAOYSA-N
XLogP6.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.48
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propoxy]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propoxy]-2,3-dihydro-1H-indene (CID 14500179) is 5-[3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propoxy]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propoxy]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propoxy]-2,3-dihydro-1H-indene is FC(F)(F)C(COCc1cccc(Oc2ccccc2)c1)COc1ccc2c(c1)CCC2.
What is the InChIKey of 5-[3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propoxy]-2,3-dihydro-1H-indene?
The InChIKey is DVLYPQZNENSYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3O3/c27-26(28,29)22(18-31-24-13-12-20-7-5-8-21(20)15-24)17-30-16-19-6-4-11-25(14-19)32-23-9-2-1-3-10-23/h1-4,6,9-15,22H,5,7-8,16-18H2.
What are the key properties of 5-[3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propoxy]-2,3-dihydro-1H-indene?
5-[3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propoxy]-2,3-dihydro-1H-indene has a molecular weight of 442.48 g/mol, XLogP of 6.74, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propoxy]-2,3-dihydro-1H-indene is sourced from PubChem (CID 14500179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).