5bcHtFMeFB

HCID 175685828

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Basic information

CAS: 1393117-60-6
Standard SMILES: CCCCCC1CCC(C2CCC(c3ccc(-c4ccc(C(F)(F)F)c(F)c4)cc3)CC2)CC1
InChIKey: RPZSGARKYUVQLQ-UHFFFAOYSA-N
Molecular formula: C30H38F4
Average molar mass: 474.6 g/mol
Monoisotopic mass: 474.29096386

Names & identifiers

Preferred name: 5bcHtFMeFB
IUPAC: 2-fluoro-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-1-(trifluoromethyl)benzene

Names & synonyms

5bcHtFMeFBDTXSID0013810553-fluoro-4'-(4'-pentyl-[1,1'-bi(cyclohexan)]-4-yl)-4-(trifluoromethyl)-1,1'-biphenyl1393117-60-63-Fluoro-4a(2)-[(trans,trans)-4a(2)-pentyl[1,1a(2)-bicyclohexyl]-4-yl]-4-(trifluoromethyl)-1,1a(2)-biphenyl

Database identifiers

CAS: 1393117-60-6
PubChem CID: 175685828
DTXSID: DTXSID001381055
Nikkaji: J3.669.493I

Properties

Computed structural properties

XLogP: 11.9
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 34
Formal charge: 0
Complexity: 577

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