2,2-difluoropentanedioic acid

2,2-difluoropentanedioic acid

CAS: 380-86-9

Formula: C5H6F2O4

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

IUPAC: 2,2-difluoropentanedioic acid

InChI: InChI=1S/C5H6F2O4/c6-5(7,4(10)11)2-1-3(8)9/h1-2H2,(H,8,9)(H,10,11)

Composition: C (35.73%), H (3.60%), F (22.60%), O (38.07%)

Molar Mass: 168.096

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	168.023414999
Formal Charge	0
FSP3	0.6
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PIVAHSCRTJPWJU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	28.52
Topological Polar Surface Area	74.6
Polarizability	11.11
Ring Count	0
Rotatable Bond Count	4

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