sodium 1-cyclopropyl-4,4-difluoro-3-oxobut-1-en-1-olate

sodium 1-cyclopropyl-4,4-difluoro-3-oxobut-1-en-1-olate

CAS: 1300732-76-6

Formula: C7H7F2NaO2

SMILES: [Na+].[O-]C(=CC(=O)C(F)F)C1CC1

IUPAC: sodium 1-cyclopropyl-4,4-difluoro-3-oxobut-1-en-1-olate

InChI: InChI=1S/C7H8F2O2.Na/c8-7(9)6(11)3-5(10)4-1-2-4;/h3-4,7,10H,1-2H2;/q;+1/p-1

Composition: C (45.66%), H (3.83%), F (20.64%), Na (12.49%), O (17.38%)

Molar Mass: 184.118

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	184.03118007
Formal Charge	0
FSP3	0.57
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	BDGKHVGFINAKEC-UHFFFAOYSA-M
Lipinski's Rule of Five	1
Molar Refractivity	46.52
Topological Polar Surface Area	40.13
Polarizability	12.74
Ring Count	1
Rotatable Bond Count	3

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