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(1S)-2,2-difluorocyclobutane-1-carboxylic acid

(1S)-2,2-difluorocyclobutane-1-carboxylic acid

CAS: 2750509-66-9

Formula: C5H6F2O2

SMILES: OC(=O)[C@@H]1CCC1(F)F

IUPAC: (1S)-2,2-difluorocyclobutane-1-carboxylic acid

InChI: InChI=1S/C5H6F2O2/c6-5(7)2-1-3(5)4(8)9/h3H,1-2H2,(H,8,9)/t3-/m0/s1

Composition: C (44.13%), H (4.44%), F (27.92%), O (23.51%)

Molar Mass: 136.098

Atom Count: 15

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 136.033585759
Formal Charge 0
FSP3 0.8
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey CEDIFJKUTKENCU-VKHMYHEASA-N
Lipinski's Rule of Five 1
Molar Refractivity 24.98
Topological Polar Surface Area 37.3
Polarizability 9.58
Ring Count 1
Rotatable Bond Count 1

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