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

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

Formula: C21H27F3O2

SMILES: CCC1CCC(CC1)C1CCC(CC1)C(=O)OC1=CC(F)=C(F)C(F)=C1

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

InChI: InChI=1S/C21H27F3O2/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)21(25)26-17-11-18(22)20(24)19(23)12-17/h11-16H,2-10H2,1H3

Composition: C (68.46%), H (7.39%), F (15.47%), O (8.68%)

Molar Mass: 368.44

Atom Count: 53

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 368.196314598
Formal Charge 0
FSP3 0.67
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey JRVLFALUMBSZRJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 93.89
Topological Polar Surface Area 26.3
Polarizability 36.29
Ring Count 3
Rotatable Bond Count 5

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