1-methyl-4-(3,4,4-trifluorobut-3-ene-1-sulfonyl)benzene

1-methyl-4-(3,4,4-trifluorobut-3-ene-1-sulfonyl)benzene

CAS: 343374-89-0

Formula: C11H11F3O2S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)CCC(F)=C(F)F

IUPAC: 1-methyl-4-(3,4,4-trifluorobut-3-ene-1-sulfonyl)benzene

InChI: InChI=1S/C11H11F3O2S/c1-8-2-4-9(5-3-8)17(15,16)7-6-10(12)11(13)14/h2-5H,6-7H2,1H3

Composition: C (50.00%), H (4.20%), F (21.57%), O (12.11%), S (12.13%)

Molar Mass: 264.26

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	264.043185257
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZCJWNOZIEOUNKU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.31
Topological Polar Surface Area	34.14
Polarizability	22.71
Ring Count	1
Rotatable Bond Count	4

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