5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene

C25H19F5O — CID 118687159

IUPAC5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene
SMILESCCC1Cc2ccc(-c3ccc(-c4cc(F)c(OC=C(F)F)c(F)c4)c(F)c3)cc2C1
InChIInChI=1S/C25H19F5O/c1-2-14-7-15-3-4-16(9-18(15)8-14)17-5-6-20(21(26)10-17)19-11-22(27)25(23(28)12-19)31-13-24(29)30/h3-6,9-14H,2,7-8H2,1H3
InChIKeyGXOJRPXLRSOKKU-UHFFFAOYSA-N
MW430.42 g/mol
LogP7.68
Rot. Bonds5

About 5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene

5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene (PubChem CID 118687159) has the molecular formula C25H19F5O and a molecular weight of 430.42 g/mol. Its IUPAC name is 5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene
PubChem CID118687159
Molecular FormulaC25H19F5O
Molecular Weight430.42 g/mol
Exact Mass430.14
IUPAC Name5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene
SMILESCCC1Cc2ccc(-c3ccc(-c4cc(F)c(OC=C(F)F)c(F)c4)c(F)c3)cc2C1
InChIInChI=1S/C25H19F5O/c1-2-14-7-15-3-4-16(9-18(15)8-14)17-5-6-20(21(26)10-17)19-11-22(27)25(23(28)12-19)31-13-24(29)30/h3-6,9-14H,2,7-8H2,1H3
InChIKeyGXOJRPXLRSOKKU-UHFFFAOYSA-N
XLogP7.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.42
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene?
The IUPAC name of 5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene (CID 118687159) is 5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene is CCC1Cc2ccc(-c3ccc(-c4cc(F)c(OC=C(F)F)c(F)c4)c(F)c3)cc2C1.
What is the InChIKey of 5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene?
The InChIKey is GXOJRPXLRSOKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F5O/c1-2-14-7-15-3-4-16(9-18(15)8-14)17-5-6-20(21(26)10-17)19-11-22(27)25(23(28)12-19)31-13-24(29)30/h3-6,9-14H,2,7-8H2,1H3.
What are the key properties of 5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene?
5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene has a molecular weight of 430.42 g/mol, XLogP of 7.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 118687159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).