5-methyl-2-(trifluoromethyl)furan-3-carboxylic acid

5-methyl-2-(trifluoromethyl)furan-3-carboxylic acid

CAS: 17515-74-1

Formula: C7H5F3O3

SMILES: CC1=CC(C(O)=O)=C(O1)C(F)(F)F

IUPAC: 5-methyl-2-(trifluoromethyl)furan-3-carboxylic acid

InChI: InChI=1S/C7H5F3O3/c1-3-2-4(6(11)12)5(13-3)7(8,9)10/h2H,1H3,(H,11,12)

Composition: C (43.31%), H (2.60%), F (29.36%), O (24.73%)

Molar Mass: 194.109

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	194.01907851
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	NURNFMNHTHXTDS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.83
Topological Polar Surface Area	50.44
Polarizability	12.98
Ring Count	1
Rotatable Bond Count	2

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