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3,4,5-trifluorophenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate

3,4,5-trifluorophenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate

Formula: C22H29F3O2

SMILES: CCCC1CCC(CC1)C1CCC(CC1)C(=O)OC1=CC(F)=C(F)C(F)=C1

IUPAC: 3,4,5-trifluorophenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate

InChI: InChI=1S/C22H29F3O2/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)22(26)27-18-12-19(23)21(25)20(24)13-18/h12-17H,2-11H2,1H3

Composition: C (69.09%), H (7.64%), F (14.90%), O (8.37%)

Molar Mass: 382.467

Atom Count: 56

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 382.211964663
Formal Charge 0
FSP3 0.68
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey SDAWLPKKYZMFEM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 98.49
Topological Polar Surface Area 26.3
Polarizability 38.12
Ring Count 3
Rotatable Bond Count 6

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