4-Iodo-beta, beta, beta-trifluorophenetole

CAT: 0127-PC2634-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC2634-01Size:1 g

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CAS Number

530080-17-2

Synonyms

1-Iodo-4- (2,2,2-trifluoroethoxy) benzene, 4-Iodophenyl 2,2,2-trifluoroethyl ether

MDL Number

MFCD08458086

Purity

=95%

Smiles

FC(F)(F)COc1ccc(I)cc1

Chemical Information

1-Iodo-4-(2,2,2-trifluoroethoxy)benzene

CAS Number	530080-17-2
PubChem CID	19764828
IUPAC Name	1-iodo-4-(2,2,2-trifluoroethoxy)benzene
Molecular Formula	C8H6F3IO
Molecular Weight	302.03
XLogP	3.7
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	152

SMILES

C1=CC(=CC=C1OCC(F)(F)F)I

InChI

InChI=1S/C8H6F3IO/c9-8(10,11)5-13-7-3-1-6(12)2-4-7/h1-4H,5H2

InChIKey

FESYDYJCAHUCAT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 530080-17-2

CID: 19764828

Formula: C8H6F3IO

MW: 302.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	302.03
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	301.94155
Monoisotopic Mass	301.94155
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	152
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
PC2601-01	4-Iodo-alpha, alpha, beta, beta-tetrafluorophenetole
BICY1019-01	Heptakis (6-deoxy-6-iodo) -beta-cyclodexrin
BIB6084-01	5-Iodo-3-indolyl-beta-D-galactopyranoside
OR1043371-01	(betaS) -beta-Amino-3-ethoxy-4-methoxybenzeneethanol
OR1021742	4-Methyl-beta-methyl-beta-nitrostyrene
PC2561-01	Alpha, alpha, beta, beta,4-Pentafluorophenetole
BICL5054-01	Methyl 6-deoxy-6-iodo-beta-D-glucopyranoside
OR53159-01	4-Iodo-4'-nitrobiphenyl
OR1077918	4'-Iodo-4-dimethylaminoazobenzene
OR94542-01	4-Iodo-4'-propylbiphenyl

Catalog	Name
sc-293683	Boc-4-iodo-D-beta-homophenylalanine
sc-285105A	Boc-4-iodo-L-beta-homophenylalanine
sc-290372A	4-Iodo-D-beta-homophenylalanine hydrochloride
sc-290373A	4-Iodo-L-beta-homophenylalanine hydrochloride
sc-294757	Fmoc-4-iodo-D-beta-homophenylalanine
sc-294758	Fmoc-4-iodo-L-beta-homophenylalanine
FB49924-01	Boc-beta-iodo-Ala-OMe
sc-484689	4-Bromo-beta, beta-difluorostyrene
T9155-25	Tubulin, beta IV (Tubulin beta 4, TUBB 4, TUBB4, Beta-4, Beta-4 Tubulin, MC1R, Tubulin beta 3)
442608-01	Beta- (4-Methylbenzylsulfanyl) -beta, beta-cyclopentamethylene-propionic Acid