3- (2,2,2-Trifluoroethoxy) phenol

CAT: 0926-IBB06274-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-IBB06274-01Size:50 mg

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CAS Number

658062-74-9

MDL Number

MFCD11103453

Smiles

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

Molecular Formula

C8H7F3O2

Molecular Weight

192.13 g/mol

Controlled

Chemical Information

3-(2,2,2-Trifluoroethoxy)phenol

CAS Number	658062-74-9
PubChem CID	19690811
IUPAC Name	3-(2,2,2-trifluoroethoxy)phenol
Molecular Formula	C8H7F3O2
Molecular Weight	192.13
XLogP	2.7
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	158

SMILES

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

InChI

InChI=1S/C8H7F3O2/c9-8(10,11)5-13-7-3-1-2-6(12)4-7/h1-4,12H,5H2

InChIKey

PZZNHAZMDITYQC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 658062-74-9

CID: 19690811

Formula: C8H7F3O2

MW: 192.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.13
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	192.03981395
Monoisotopic Mass	192.03981395
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	158
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
WQB06395-01	[3- (2,2,2-Trifluoroethoxy) phenyl]methanol
AQB93180-01	3- (2,2,2-Trifluoroethoxy) piperidine
YEA20761-01	3- (2,2,2-Trifluoroethoxy) aniline
GKA47307-01	3- (2,2,2-Trifluoroethoxy) pyridine
ENB58523-01	{3-[ (2,2,2-Trifluoroethoxy) methyl]phenyl}methanamine
YZB31133-01	2-[3- (2,2,2-Trifluoroethoxy) phenyl]acetic acid
FN184528-01	3-Nitro-2- (trifluoromethoxy) phenol
SFC05976-01	2-Bromo-3- (trifluoromethoxy) phenol
HDC88659-01	3- (2,2,2-Trifluoroethoxy) azetidine hydrochloride
KBA45346-01	Methyl 3- (2,2,2-trifluoroethoxy) benzoate

Catalog	Name
TRC-T790190-10G	2-(2,2,2-Trifluoroethoxy)phenol
JH164394	2- (2,2,2-Trifluoroethoxy) phenol
PC500818	3- (2,2,2-Trifluoroethoxy) phenol
PC5859	4- (2,2,2-Trifluoroethoxy) phenol
PC500867	5-Bromo-2- (2,2,2-trifluoroethoxy) phenol
PC500870	2-Bromo-6- (2,2,2-trifluoroethoxy) phenol
PC500888	2-Fluoro-6- (2,2,2-trifluoroethoxy) phenol
PC500861	3-Bromo-2- (2,2,2-trifluoroethoxy) phenol
PC500879	3-Fluoro-2- (2,2,2-trifluoroethoxy) phenol
PC500885	5-Fluoro-2- (2,2,2-trifluoroethoxy) phenol