4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoic acid

4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoic acid

CAS: 27854-30-4

Formula: C9H5F13O2

SMILES: OC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

IUPAC: 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoic acid

InChI: InChI=1S/C9H5F13O2/c10-4(11,2-1-3(23)24)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-2H2,(H,23,24)

Composition: C (27.57%), H (1.29%), F (62.99%), O (8.16%)

Molar Mass: 392.116

Atom Count: 29

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	392.00819552
Formal Charge	0
FSP3	0.89
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AAEJJSZYNKXKSW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.41
Topological Polar Surface Area	37.3
Polarizability	17.96
Ring Count	0
Rotatable Bond Count	8

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