Fluorothyl

CAT: 0127-BUP14934-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP14934-02Size:100 mg

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CAS Number

333-36-8

Synonyms

Fluoroethyl, Flurothyl, Bis (2,2,2-trifluoroethyl) ether

Smiles

FC(F)(F)COCC(F)(F)F

Chemical Information

Flurothyl

Flurotyl is an ether.

CAS Number	333-36-8
PubChem CID	9528
IUPAC Name	1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane
Molecular Formula	C4H4F6O
Molecular Weight	182.06
XLogP	2.3
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	98

SMILES

C(C(F)(F)F)OCC(F)(F)F

InChI

InChI=1S/C4H4F6O/c5-3(6,7)1-11-2-4(8,9)10/h1-2H2

InChIKey

KGPPDNUWZNWPSI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 333-36-8

CID: 9528

Formula: C4H4F6O

MW: 182.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.06
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	182.01663372
Monoisotopic Mass	182.01663372
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	98.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC1003241-01	2-Fluoroethyl methanesulfonate
PC3751	2-Fluoroethyl acrylate
PC3751J-01	2-Fluoroethyl methacrylate
PC108037	Fluoromethyl carbonofluoridate
PC210144-01	N- (2-Fluoroethyl) aniline
PC101275	1- (2-Fluoroethyl) piperazine
PC107929	Bis (2-fluoroethyl) ether
PC1008737-01	Bis (2-Fluoroethyl) Carbonate
PC106069	(1-Fluoroethyl) methyl carbonate
PC902702-01	2-Fluoroethyl 4-methylbenzenesulfonate

Catalog	Name
GTR19177644-01	Fluorothyl