3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopent-1-en-1-yl]-2-methyl-1-benzothiophene

3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopent-1-en-1-yl]-2-methyl-1-benzothiophene

CAS: 137814-07-4

Formula: C23H14F6S2

SMILES: CC1=C(C2=CC=CC=C2S1)C1=C(C2=C(C)SC3=CC=CC=C23)C(F)(F)C(F)(F)C1(F)F

IUPAC: 3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopent-1-en-1-yl]-2-methyl-1-benzothiophene

InChI: InChI=1S/C23H14F6S2/c1-11-17(13-7-3-5-9-15(13)30-11)19-20(22(26,27)23(28,29)21(19,24)25)18-12(2)31-16-10-6-4-8-14(16)18/h3-10H,1-2H3

Composition: C (58.97%), H (3.01%), F (24.33%), S (13.69%)

Molar Mass: 468.48

Atom Count: 45

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	468.044111777
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	CNLMHUFAXSWHFA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	109.87
Topological Polar Surface Area	0
Polarizability	42.35
Ring Count	5
Rotatable Bond Count	2

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