tFPO-CF2-5HiFB

HCID 175685243

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Basic information

CAS: 2031147-89-2
Standard SMILES: CCCCCC1Cc2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(F)c(F)c5)c(F)c4)cc3)cc2C1
InChIKey: JIVQOZBSDYZLFG-UHFFFAOYSA-N
Molecular formula: C33H27F7O
Average molar mass: 572.6 g/mol
Monoisotopic mass: 572.19501261

Names & identifiers

Preferred name: tFPO-CF2-5HiFB
IUPAC: 5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]-2-pentyl-2,3-dihydro-1H-indene

Names & synonyms

tFPO-CF2-5HiFBDTXSID2013787872031147-89-25-(4'-(difluoro(3,4,5-trifluorophenoxy)methyl)-3',5'-difluoro-[1,1'-biphenyl]-4-yl)-2-pentyl-2,3-dihydro-1H-indene5-[4a(2)-[Difluoro(3,4,5-trifluorophenoxy)methyl]-3a(2),5a(2)-difluoro[1,1a(2)-biphenyl]-4-yl]-2,3-dihydro-2-pentyl-1H-indene

Database identifiers

CAS: 2031147-89-2
PubChem CID: 175685243
DTXSID: DTXSID201378787

Properties

Computed structural properties

XLogP: 11.1
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 41
Formal charge: 0
Complexity: 795

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