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

C32H21F9O2 — CID 118687158

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

5-[4-[4-[[4-(2,2-difluoroethenoxy)-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene (PubChem CID 118687158) has the molecular formula C32H21F9O2 and a molecular weight of 608.50 g/mol. Its IUPAC name is 5-[4-[4-[[4-(2,2-difluoroethenoxy)-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene.

Molecular Properties

• Compound Name: 5-[4-[4-[[4-(2,2-difluoroethenoxy)-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene
• PubChem CID: 118687158
• Molecular Formula: C32H21F9O2
• Molecular Weight: 608.50 g/mol
• Exact Mass: 608.14
• IUPAC Name: 5-[4-[4-[[4-(2,2-difluoroethenoxy)-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene
• SMILES: CCC1Cc2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(OC=C(F)F)c(F)c5)c(F)c4)c(F)c3)cc2C1
• InChI: InChI=1S/C32H21F9O2/c1-2-16-7-17-3-4-18(9-20(17)8-16)19-5-6-23(24(33)10-19)21-11-25(34)30(26(35)12-21)32(40,41)43-22-13-27(36)31(28(37)14-22)42-15-29(38)39/h3-6,9-16H,2,7-8H2,1H3
• InChIKey: FXYCZMIPAWEPSS-UHFFFAOYSA-N
• XLogP: 10.09
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.50
LogP ≤ 5	10.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[[4-(2,2-difluoroethenoxy)-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene?

The IUPAC name of 5-[4-[4-[[4-(2,2-difluoroethenoxy)-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene (CID 118687158) is 5-[4-[4-[[4-(2,2-difluoroethenoxy)-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene.

What is the SMILES notation for 5-[4-[4-[[4-(2,2-difluoroethenoxy)-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene?

The canonical SMILES for 5-[4-[4-[[4-(2,2-difluoroethenoxy)-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene is CCC1Cc2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(OC=C(F)F)c(F)c5)c(F)c4)c(F)c3)cc2C1.

What is the InChIKey of 5-[4-[4-[[4-(2,2-difluoroethenoxy)-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene?

The InChIKey is FXYCZMIPAWEPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21F9O2/c1-2-16-7-17-3-4-18(9-20(17)8-16)19-5-6-23(24(33)10-19)21-11-25(34)30(26(35)12-21)32(40,41)43-22-13-27(36)31(28(37)14-22)42-15-29(38)39/h3-6,9-16H,2,7-8H2,1H3.

What are the key properties of 5-[4-[4-[[4-(2,2-difluoroethenoxy)-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene?

5-[4-[4-[[4-(2,2-difluoroethenoxy)-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene has a molecular weight of 608.50 g/mol, XLogP of 10.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-[[4-(2,2-difluoroethenoxy)-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 118687158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).