tFPO-CF2-4FB

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Basic information

CAS: 2098187-82-5
Standard SMILES: CCCCc1ccc(-c2ccc(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1
InChIKey: MGDFABVJSLSRFX-UHFFFAOYSA-N
Molecular formula: C23H18F6O
Average molar mass: 424.4 g/mol
Monoisotopic mass: 424.12618417

Names & identifiers

Preferred name: tFPO-CF2-4FB
IUPAC: 5-[[4-(4-butylphenyl)-2-fluorophenyl]-difluoromethoxy]-1,2,3-trifluorobenzene

Names & synonyms

tFPO-CF2-4FBDTXSID2013780184'-butyl-4-(difluoro(3,4,5-trifluorophenoxy)methyl)-3-fluoro-1,1'-biphenyl5-[(4a(2)-butyl-3-fluoro[1,1a(2)-biphenyl]-4-yl)difluoromethoxy]-1,2,3-trifluoro-Benzene2098187-82-5

Database identifiers

CAS: 2098187-82-5
PubChem CID: 175685438
DTXSID: DTXSID201378018

Properties

Computed structural properties

XLogP: 8
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 30
Formal charge: 0
Complexity: 512

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Compound notes

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