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1,3-diethyl 2-fluoro-2-methylpropanedioate

1,3-diethyl 2-fluoro-2-methylpropanedioate

CAS: 16519-02-1

Formula: C8H13FO4

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

IUPAC: 1,3-diethyl 2-fluoro-2-methylpropanedioate

InChI: InChI=1S/C8H13FO4/c1-4-12-6(10)8(3,9)7(11)13-5-2/h4-5H2,1-3H3

Composition: C (50.00%), H (6.82%), F (9.89%), O (33.30%)

Molar Mass: 192.186

Atom Count: 26

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 192.079787062
Formal Charge 0
FSP3 0.75
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey QMSICYQQZWUMHX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.38
Topological Polar Surface Area 52.6
Polarizability 16.9
Ring Count 0
Rotatable Bond Count 6

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95% <7 Days 16519-02-1 $52.79-$1,502.82$52.79$121.10$342.59$1,502.82
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95% <6 Days 16519-02-1 $44.85-$1,123.55$44.85$112.70$341.55$576.15$1,123.55
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95% <5 Days 16519-02-1 $58.01-$1,503.11$58.01$146.28$442.61$769.21$1,503.11
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