1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(oxiran-2-ylmethyl)-N-propyloctane-1-sulfonamide

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(oxiran-2-ylmethyl)-N-propyloctane-1-sulfonamide

CAS: 77620-64-5

Formula: C14H12F17NO3S

SMILES: CCCN(CC1CO1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

IUPAC: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[(oxiran-2-yl)methyl]-N-propyloctane-1-sulfonamide

InChI: InChI=1/C14H12F17NO3S/c1-2-3-32(4-6-5-35-6)36(33,34)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29/h6H,2-5H2,1H3

Composition: C (28.15%), H (2.03%), F (54.07%), N (2.35%), O (8.04%), S (5.37%)

Molar Mass: 597.29

Atom Count: 48

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	597.026643195
Formal Charge	0
FSP3	1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HEAWIZXIWLKJKG-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	80.33
Topological Polar Surface Area	49.91
Polarizability	31.36
Ring Count	1
Rotatable Bond Count	12

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