chempirical

3,5-Difluorophenylacetic acid

C8H6F2O2CAS 105184-38-1172.13 g/mol

Open in Covalent MOL file
FFOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C8H6F2O2
Molar mass
172.13 g/mol
Exact mass
172.0336 Da
logP
1.59Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
105184-38-1
SMILES
C1=C(C=C(C=C1F)F)CC(=O)O
InChIKey
IGGNSAVLXJKCNH-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)

Weigh it out

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

Work with 3,5-Difluorophenylacetic acid

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

3-Fluorophenylacetic acid331-25-970 % similar 2,4,6-Trifluorobenzeneacetic acid209991-63-967 % similar (4-Fluorophenyl)acetic acid405-50-566 % similar 3,5-Dihydroxyphenylacetic acid4670-09-157 % similar 2,4-Difluorophenylacetic acid81228-09-356 % similar 2,5-Difluorobenzeneacetic acid85068-27-556 % similar 1,4-Benzenediacetic acid7325-46-456 % similar 3,5-Dichlorobenzeneacetic acid51719-65-455 % similar

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

Same formula

3,5-Difluoro-2-methylbenzoic acid1003710-06-2 2,5-Difluoro-4-methylbenzoic acid103877-80-1 Methyl 2,4-difluorobenzoate106614-28-2 2,4-Difluoro-3-methylbenzoic acid112857-68-8 2,3-Difluorobenzeneacetic acid145689-41-4 4,5-Difluoro-2-methylbenzoic acid183237-86-7 Methyl 3,4-difluorobenzoate369-25-5 (3,4-Difluorophenyl)acetic acid658-93-5

Elsewhere

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