Trans,trans-1-(4'-pentylbicyclohexyl)-3,4,5-trifluorobenzene

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Catalog Number
ACM137644543
Product Name
Trans,trans-1-(4'-pentylbicyclohexyl)-3,4,5-trifluorobenzene
Structure
Structure
CAS
137644-54-3
Category
Heterocyclic Organic Compound
Synonyms
trans,trans-1-(4'-Pentylbicyclohexyl)-3,4,5-trifluorobenzene;1,2,3-Trifluoro-5-[(trans,trans)-4'-pentyl[1,1'-bicyclohexyl]-4-yl]benzene;trans-1-(3,4,5-Trifluorophenyl)-trans-4'-pentylbicyclohexane
IUPAC Name
1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
Molecular Weight
366.5g/mol
Molecular Formula
C23H33F3
Canonical SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C23H33F3/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-21(24)23(26)22(25)15-20/h14-19H,2-13H2,1H3
InChI Key
TXHFUCYJBLLNIG-UHFFFAOYSA-N
Complexity
384
Covalently-Bonded Unit Count
1
EC Number
604-031-6
Exact Mass
366.253436g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
0
Heavy Atom Count
26
Monoisotopic Mass
366.253436g/mol
Rotatable Bond Count
6
XLogP3
9.6
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