methyl 2-(3,4,4-trifluorobut-3-ene-1-sulfonyl)acetate

methyl 2-(3,4,4-trifluorobut-3-ene-1-sulfonyl)acetate

CAS: 339020-20-1

Formula: C7H9F3O4S

SMILES: COC(=O)CS(=O)(=O)CCC(F)=C(F)F

IUPAC: methyl 2-(3,4,4-trifluorobut-3-ene-1-sulfonyl)acetate

InChI: InChI=1S/C7H9F3O4S/c1-14-6(11)4-15(12,13)3-2-5(8)7(9)10/h2-4H2,1H3

Composition: C (34.15%), H (3.68%), F (23.15%), O (25.99%), S (13.02%)

Molar Mass: 246.2

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	246.017364433
Formal Charge	0
FSP3	0.57
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LFCITJGUGBWWTG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.34
Topological Polar Surface Area	60.44
Polarizability	18.11
Ring Count	0
Rotatable Bond Count	6

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