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methyl 3-fluorobicyclo[1.1.1]pentane-1-carboxylate

methyl 3-fluorobicyclo[1.1.1]pentane-1-carboxylate

CAS: 262851-99-0

Formula: C7H9FO2

SMILES: COC(=O)C12CC(F)(C1)C2

IUPAC: methyl 3-fluorobicyclo[1.1.1]pentane-1-carboxylate

InChI: InChI=1S/C7H9FO2/c1-10-5(9)6-2-7(8,3-6)4-6/h2-4H2,1H3

Composition: C (58.33%), H (6.29%), F (13.18%), O (22.20%)

Molar Mass: 144.145

Atom Count: 19

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 144.058657693
Formal Charge 0
FSP3 0.86
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey RVVFAWVQBGJNAA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 32.05
Topological Polar Surface Area 26.3
Polarizability 12.76
Ring Count 2
Rotatable Bond Count 2

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