methyl 3-fluoro-2-(trifluoromethyl)pyridine-4-carboxylate

methyl 3-fluoro-2-(trifluoromethyl)pyridine-4-carboxylate

CAS: 1227594-82-2

Formula: C8H5F4NO2

SMILES: COC(=O)C1=C(F)C(=NC=C1)C(F)(F)F

IUPAC: methyl 3-fluoro-2-(trifluoromethyl)pyridine-4-carboxylate

InChI: InChI=1S/C8H5F4NO2/c1-15-7(14)4-2-3-13-6(5(4)9)8(10,11)12/h2-3H,1H3

Composition: C (43.06%), H (2.26%), F (34.06%), N (6.28%), O (14.34%)

Molar Mass: 223.127

Atom Count: 20

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	223.025641057
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OHDCGRVVFKANGM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.74
Topological Polar Surface Area	39.19
Polarizability	15.21
Ring Count	1
Rotatable Bond Count	3

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95%	<8 Days	1227594-82-2		$417.86-$6,017.14$417.86$1,253.57$2,005.71$3,760.71$6,017.14