(2, 2- Difluoroethoxy) acetic Acid - CAS 269731-26-2

Technical Data

IUPAC Name:	2-(2,2-difluoroethoxy)acetic acid
Description:	(2, 2- Difluoroethoxy) acetic Acid is a derivative of 2,2-Difluoroethanol (D445580), a toxic compound with a wide application in pesticides, medicine and fluoropolymers.
Molecular Weight:	140.09
Molecular Formula:	C4H6F2O3
Canonical SMILES:	C(C(F)F)OCC(=O)O
InChI:	InChI=1S/C4H6F2O3/c5-3(6)1-9-2-4(7)8/h3H,1-2H2,(H,7,8)
InChI Key:	GQTMDIOFKUTFDR-UHFFFAOYSA-N
References:	Jiang, Q., et al. Zhejiang Huagong, 43, 5 (2012); Yukako, M., et al. J. Fluorine Chem., 125, 731 (2004); Siegemund, G., et al. Fluorine Comp. Org., Wiley-VCH (2007); Timperley, C., et al. J. Fluorine Chem., 123, 65 (2003).

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	93.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.02850037
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.02850037
Rotatable Bond Count:	4
Topological Polar Surface Area:	46.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5