tFPO-CF2-3HitFB

HCID 71811618

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Basic information

CAS: 1357385-67-1
Standard SMILES: CCCC1Cc2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(F)c(F)c5)c(F)c4)c(F)c3)cc2C1
InChIKey: CYMVOYDXGRPJQY-UHFFFAOYSA-N
Molecular formula: C31H22F8O
Average molar mass: 562.5 g/mol
Monoisotopic mass: 562.15429062

Names & identifiers

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

Names & synonyms

tFPO-CF2-3HitFBSCHEMBL9288558CYMVOYDXGRPJQY-UHFFFAOYSA-NDTXSID4013797551357385-67-15-(4'-(difluoro(3,4,5-trifluorophenoxy)methyl)-2,3',5'-trifluoro-[1,1'-biphenyl]-4-yl)-2-propyl-2,3-dihydro-1H-indene5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-2-propyl-2,3-dihydro-1H-indene5-[4a(2)-[Difluoro(3,4,5-trifluorophenoxy)methyl]-2,3a(2),5a(2)-trifluoro[1,1a(2)-biphenyl]-4-yl]-2,3-dihydro-2-propyl-1H-indene

Database identifiers

CAS: 1357385-67-1
PubChem CID: 71811618
DTXSID: DTXSID401379755

Properties

Computed structural properties

XLogP: 10.2
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 9
Rotatable bonds: 7
Heavy atoms: 40
Formal charge: 0
Complexity: 805

Experimental & physicochemical properties

Chemical Classes · 2 items

Liquid Crystal (LCM) Monomers

Fluorinated Liquid Crystal Monomers (LCM)

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