1-(methanesulfonylmethyl)-4-(trifluoromethyl)benzene

1-(methanesulfonylmethyl)-4-(trifluoromethyl)benzene

CAS: 40289-23-4

Formula: C9H9F3O2S

SMILES: CS(=O)(=O)CC1=CC=C(C=C1)C(F)(F)F

IUPAC: 1-(methanesulfonylmethyl)-4-(trifluoromethyl)benzene

InChI: InChI=1S/C9H9F3O2S/c1-15(13,14)6-7-2-4-8(5-3-7)9(10,11)12/h2-5H,6H2,1H3

Composition: C (45.38%), H (3.81%), F (23.93%), O (13.43%), S (13.46%)

Molar Mass: 238.22

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	238.027535193
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KCCSFWPCOOIRPQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.04
Topological Polar Surface Area	34.14
Polarizability	19.43
Ring Count	1
Rotatable Bond Count	3

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