ethyl 2,2-difluorohexanoate

ethyl 2,2-difluorohexanoate

CAS: 74106-81-3

Formula: C8H14F2O2

SMILES: CCCCC(F)(F)C(=O)OCC

IUPAC: ethyl 2,2-difluorohexanoate

InChI: InChI=1S/C8H14F2O2/c1-3-5-6-8(9,10)7(11)12-4-2/h3-6H2,1-2H3

Composition: C (53.32%), H (7.83%), F (21.09%), O (17.76%)

Molar Mass: 180.195

Atom Count: 26

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	180.096186017
Formal Charge	0
FSP3	0.87
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	XTUTXYBGTIFZFQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.97
Topological Polar Surface Area	26.3
Polarizability	15.82
Ring Count	0
Rotatable Bond Count	6

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