2,2-Difluoroethyl Trifluoromethanesulfonate - CAS 74427-22-8

Name: 2,2-Difluoroethyl Trifluoromethanesulfonate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB035083
Product Name:	2,2-Difluoroethyl Trifluoromethanesulfonate
CAS:	74427-22-8
Synonyms:	trifluoromethanesulfonic acid 2,2-difluoroethyl ester; 2,2-difluoroethyl trifluoromethanesulfonate

Technical Data

IUPAC Name:	2,2-difluoroethyl trifluoromethanesulfonate
Description:	2,2-Difluoroethyl Trifluoromethanesulfonate (CAS# 74427-22-8) is used to prepare kinesin spindle protein inhibitors for treatment of taxane-refractory cancer. It is also used to synthesize MexAB-OprM specific efflux pump inhibitors in Pseudomonas aeruginosa.
Molecular Weight:	214.11
Molecular Formula:	C3H3F5O3S
Canonical SMILES:	C(C(F)F)OS(=O)(=O)C(F)(F)F
InChI:	InChI=1S/C3H3F5O3S/c4-2(5)1-11-12(9,10)3(6,7)8/h2H,1H2
InChI Key:	NKULBUOBGILEAR-UHFFFAOYSA-N
Boiling Point:	118-120 °C
Density:	1.608 g/cm³
MDL:	MFCD02093342
LogP:	2.19850

GHS Hazard Statement:	H302+H312+H332 (90.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021204800-A1	Difluorocyclohexyl derivatives as il-17 modulators	20200407
WO-2021204801-A1	Difluorocyclohexyl derivatives as il-17 modulators	20200407
WO-2021198020-A1	3-(anilino)-2-[3-(3-alkoxy-pyridin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one derivatives as egfr inhibitors for the treatment of cancer	20200331
WO-2021195481-A1	Small molecule stat protein degraders	20200326
WO-2021194982-A1	Potent and selective irreversible inhibitors of irak1	20200323

Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.97230594
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	213.97230594
Rotatable Bond Count:	3
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7