methyl 4-(trifluoromethyl)-1H-pyrrole-2-carboxylate

methyl 4-(trifluoromethyl)-1H-pyrrole-2-carboxylate

CAS: 1398113-33-1

Formula: C7H6F3NO2

SMILES: COC(=O)C1=CC(=CN1)C(F)(F)F

IUPAC: methyl 4-(trifluoromethyl)-1H-pyrrole-2-carboxylate

InChI: InChI=1S/C7H6F3NO2/c1-13-6(12)5-2-4(3-11-5)7(8,9)10/h2-3,11H,1H3

Composition: C (43.53%), H (3.13%), F (29.51%), N (7.25%), O (16.57%)

Molar Mass: 193.125

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	193.035062926
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	IBNQQPVXYXKOSK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.69
Topological Polar Surface Area	42.09
Polarizability	13.93
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1398113-33-1		$229.50-$630.50$229.50$366.95$630.50