2- (2,2-Difluoroethoxy) phenol

CAT: 0127-PC500902Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

1183067-00-6

MDL Number

MFCD12768661

Purity

=95%

Smiles

Oc1ccccc1OCC(F)F

Chemical Information

2-Difluoroethoxyphenol

CAS Number	1183067-00-6
PubChem CID	54215771
IUPAC Name	2-(2,2-difluoroethoxy)phenol
Molecular Formula	C8H8F2O2
Molecular Weight	174.14
XLogP	2.2
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	130

SMILES

C1=CC=C(C(=C1)O)OCC(F)F

InChI

InChI=1S/C8H8F2O2/c9-8(10)5-12-7-4-2-1-3-6(7)11/h1-4,8,11H,5H2

InChIKey

PZBOFGVPUPDBDL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1183067-00-6

CID: 54215771

Formula: C8H8F2O2

MW: 174.14

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	174.14
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	174.04923582
Monoisotopic Mass	174.04923582
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	130
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
PC500904	4- (2,2-Difluoroethoxy) phenol
PC500903	3- (2,2-Difluoroethoxy) phenol
PC500960	2-Bromo-6- (2,2-difluoroethoxy) phenol
PC500978	2-Fluoro-6- (2,2-difluoroethoxy) phenol
PC500981	3-Fluoro-4- (2,2-difluoroethoxy) phenol
PC500884	3-Fluoro-5- (2,2-difluoroethoxy) phenol
PC500963	3-Bromo-4- (2,2-difluoroethoxy) phenol
PC500966	3-Bromo-5- (2,2-difluoroethoxy) phenol
PC500907	2-Amino-6-bromo-4- (2,2-difluoroethoxy) phenol
PC450195-01	(2,2-Difluoroethoxy) benzene