2,2,2-trifluoro-1-(pyridin-3-yl)ethane-1,1-diol

2,2,2-trifluoro-1-(pyridin-3-yl)ethane-1,1-diol

CAS: 33284-19-4

Formula: C7H6F3NO2

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

IUPAC: 2,2,2-trifluoro-1-(pyridin-3-yl)ethane-1,1-diol

InChI: InChI=1S/C7H6F3NO2/c8-7(9,10)6(12,13)5-2-1-3-11-4-5/h1-4,12-13H

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	3
Hydrogen Bond Donor Count	2
InChIKey	MGERZEHUPJXPKJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.3
Topological Polar Surface Area	53.35
Polarizability	13.98
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	33284-19-4		$12.61-$56.75$12.61$21.44$56.75