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ethyl 3,3-difluorocyclohexane-1-carboxylate

ethyl 3,3-difluorocyclohexane-1-carboxylate

CAS: 849669-20-1

Formula: C9H14F2O2

SMILES: CCOC(=O)C1CCCC(F)(F)C1

IUPAC: ethyl 3,3-difluorocyclohexane-1-carboxylate

InChI: InChI=1/C9H14F2O2/c1-2-13-8(12)7-4-3-5-9(10,11)6-7/h7H,2-6H2,1H3

Composition: C (56.24%), H (7.34%), F (19.77%), O (16.65%)

Molar Mass: 192.206

Atom Count: 27

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 192.096186017
Formal Charge 0
FSP3 0.89
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey OHHDPRPORLBFLA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.96
Topological Polar Surface Area 26.3
Polarizability 16.93
Ring Count 1
Rotatable Bond Count 3

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