2- (2,2-Difluoroethoxy) ethanol

CAT: 0127-PC450198-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC450198-01Size:1 g

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CAS Number

853005-07-9

MDL Number

MFCD19442036

Purity

=95%

Smiles

OCCOCC(F)F

Storage Conditions

Store at 2-8°C

Chemical Information

2-(2,2-Difluoroethoxy)ethanol

CAS Number	853005-07-9
PubChem CID	53412760
IUPAC Name	2-(2,2-difluoroethoxy)ethanol
Molecular Formula	C4H8F2O2
Molecular Weight	126.10
XLogP	0.2
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	8
Formal Charge	0
Complexity	49

SMILES

C(COCC(F)F)O

InChI

InChI=1S/C4H8F2O2/c5-4(6)3-8-2-1-7/h4,7H,1-3H2

InChIKey

LAKNGWDSWAOQHA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 853005-07-9

CID: 53412760

Formula: C4H8F2O2

MW: 126.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.10
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	126.04923582
Monoisotopic Mass	126.04923582
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	49.3
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
PC450195-01	(2,2-Difluoroethoxy) benzene
PC106434-01	1,2-Bis (2,2-difluoroethoxy) ethane
PC500902	2- (2,2-Difluoroethoxy) phenol
PC500926	2- (2,2-Difluoroethoxy) acetophenone
PC500911	2- (2,2-Difluoroethoxy) iodobenzene
PC500923	2- (2,2-Difluoroethoxy) benzoylacetonitrile
PC500919-01	2- (2,2-Difluoroethoxy) benzonitrile
PC501234-01	2- (2,2-Difluoroethoxy) aniline
PC500912-01	2- (2,2-Difluoroethoxy) bromobenzene
PC500910	2- (2,2-Difluoroethoxy) phenylacetylene

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