2- (Trifluoromethyl) dioxolane

CAT: 0127-PC3398-01Size: 2 gDry Ice: NoHazardous: No

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CAT#:0127-PC3398-01Size:2 g

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CAS Number

2344-09-4

MDL Number

MFCD04038366

Purity

97%

Smiles

FC(F)(F)C1OCCO1

Chemical Information

2-(Trifluoromethyl)-1,3-dioxolane

CAS Number	2344-09-4
PubChem CID	3642049
IUPAC Name	2-(trifluoromethyl)-1,3-dioxolane
Molecular Formula	C4H5F3O2
Molecular Weight	142.08
XLogP	1
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	94

SMILES

C1COC(O1)C(F)(F)F

InChI

InChI=1S/C4H5F3O2/c5-4(6,7)3-8-1-2-9-3/h3H,1-2H2

InChIKey

SKIIHLUNHCIQAF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2344-09-4

CID: 3642049

Formula: C4H5F3O2

MW: 142.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.08
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	142.02416388
Monoisotopic Mass	142.02416388
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.5
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
PC106708	2- (2,2,2-Trifluoroethyl) -4- (trifluoromethyl) -1,3-dioxolane
PC9861-01	2,2-Bis (trifluoromethyl) -1,3-dioxolane
PC6492	2- (Dichloromethyl) -2- (trifluoromethyl) -1,3-dioxolane
PC408081	2,2-Bis (trifluoromethyl) tetrachloro-1,3-dioxolane
PC1012332	2-[2-Bromo-4- (trifluoromethyl) phenyl]-1,3-dioxolane
PC1015271	2-[2-Bromo-3- (trifluoromethyl) phenyl]-1,3-dioxolane
PC1026147-01	2- (4-fluoro-2- (trifluoromethyl) phenyl) -1,3-dioxolane
PC1022746-01	2- (2-Fluoro-5- (trifluoromethyl) phenyl) -1,3-dioxolane
PC56932-01	4-Methylene-2,2-bis (trifluoromethyl) -1,3-dioxolane
PC1024972-01	2- (2-methoxy-6- (trifluoromethyl) phenyl) -1,3-dioxolane

Catalog	Name
sc-298177	2- (Trifluoromethyl) dioxolane
TRC-T899955-1G	2,2-Bis(trifluoromethyl)-1,3-dioxolane
sc-225554	2,2-Bis (trifluoromethyl) -1,3-dioxolane
STB45945-01	3'- (Trifluoromethyl) -1',4',6',7'-tetrahydrospiro[1,3-dioxolane-2,5'-indazole]
419247-01	2,2-Bis (trifluoromethyl) -4,5-dichloro-4,5-difluoro-1,3-dioxolane
sc-356549	2,4-Bis (trifluoromethyl) -4-fluoro-5-oxo-1,3-dioxolane-2-carbonyl fluoride
HY-107082	Dioxolane T
TRC-I167005-5MG	Idarubicin Dioxolane Hydrochloride
HY-170023-01	Samidorphan isoquinoline dioxolane
S-1725	13-Dioxolane - 1ML