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1,3,3-trifluorocyclobutane-1-carboxylic acid

1,3,3-trifluorocyclobutane-1-carboxylic acid

CAS: 2168983-35-3

Formula: C5H5F3O2

SMILES: OC(=O)C1(F)CC(F)(F)C1

IUPAC: 1,3,3-trifluorocyclobutane-1-carboxylic acid

InChI: InChI=1S/C5H5F3O2/c6-4(3(9)10)1-5(7,8)2-4/h1-2H2,(H,9,10)

Composition: C (38.97%), H (3.27%), F (36.99%), O (20.77%)

Molar Mass: 154.088

Atom Count: 15

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 154.02416389
Formal Charge 0
FSP3 0.8
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey UPCMGSMQEVWULP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 23.97
Topological Polar Surface Area 37.3
Polarizability 9.6
Ring Count 1
Rotatable Bond Count 1

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