chempirical

2-Iodo-5-(trifluoromethyl)benzyl alcohol

C8H6F3IOCAS 702641-05-2302.03 g/mol

Open in Covalent MOL file
FFFOHI
AlcoholAlkyl halideAryl halide

Properties

Molecular formula
C8H6F3IO
Molar mass
302.03 g/mol
Exact mass
301.9415 Da
logP
2.80Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
702641-05-2
SMILES
C1=CC(=C(C=C1C(F)(F)F)CO)I
InChIKey
YSHVUTKATXCKBP-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F3IO/c9-8(10,11)6-1-2-7(12)5(3-6)4-13/h1-3,13H,4H2

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • (2-Iodo-5-(trifluoromethyl)phenyl)methanol

Work with 2-Iodo-5-(trifluoromethyl)benzyl alcohol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Bromomethyl)-1-iodo-4-(trifluoromethyl)benzene702641-06-365 % similar 2,5-Bis(trifluoromethyl)benzyl alcohol302911-97-364 % similar 2-Fluoro-5-(trifluoromethyl)benzyl alcohol207974-09-262 % similar 2-Chloro-5-(trifluoromethyl)benzyl alcohol64372-62-960 % similar 2-Bromo-5-(trifluoromethyl)benzyl alcohol869725-53-160 % similar 2,4-Bis(trifluoromethyl)benzyl alcohol143158-15-059 % similar 2-Fluoro-4-(trifluoromethyl)benzyl alcohol197239-49-957 % similar 2-Chloro-4-(trifluoromethyl)benzenemethanol56456-51-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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