2-(4-chloro-2-fluorophenyl)-4-fluoro-2-methyl-1,3-benzodioxole

C14H9ClF2O2 — CID 169090437

IUPAC2-(4-chloro-2-fluorophenyl)-4-fluoro-2-methyl-1,3-benzodioxole
SMILESCC1(c2ccc(Cl)cc2F)Oc2cccc(F)c2O1
InChIInChI=1S/C14H9ClF2O2/c1-14(9-6-5-8(15)7-11(9)17)18-12-4-2-3-10(16)13(12)19-14/h2-7H,1H3
InChIKeyWXYKXRPRGNEPOP-UHFFFAOYSA-N
MW282.67 g/mol
LogP4.26
Rot. Bonds1

About 2-(4-chloro-2-fluorophenyl)-4-fluoro-2-methyl-1,3-benzodioxole

2-(4-chloro-2-fluorophenyl)-4-fluoro-2-methyl-1,3-benzodioxole (PubChem CID 169090437) has the molecular formula C14H9ClF2O2 and a molecular weight of 282.67 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-4-fluoro-2-methyl-1,3-benzodioxole.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-4-fluoro-2-methyl-1,3-benzodioxole
PubChem CID169090437
Molecular FormulaC14H9ClF2O2
Molecular Weight282.67 g/mol
Exact Mass282.03
IUPAC Name2-(4-chloro-2-fluorophenyl)-4-fluoro-2-methyl-1,3-benzodioxole
SMILESCC1(c2ccc(Cl)cc2F)Oc2cccc(F)c2O1
InChIInChI=1S/C14H9ClF2O2/c1-14(9-6-5-8(15)7-11(9)17)18-12-4-2-3-10(16)13(12)19-14/h2-7H,1H3
InChIKeyWXYKXRPRGNEPOP-UHFFFAOYSA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.67
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(4-chloro-2-fluorophenyl)-2-methyl-1,3-benzodioxole;4-chloro-1-(1,1-dimethoxyethyl)-2-fluorobenzene
CID 167638492
4-[(2S)-2-(4-chloro-2-fluorophenyl)-2-methyl-1,3-benzodioxol-4-yl]-1,2,3,6-tetrahydropyridine
CID 166782146
4-[2-(4-chloro-2-fluorophenyl)-2-methyl-1,3-benzodioxol-4-yl]-5,6-dihydro-1H-1,2,4-triazine
CID 171841871
5-[2-(4-chloro-2-fluorophenyl)-2-methyl-1,3-benzodioxol-4-yl]-3,6-dihydro-2H-pyran-2-ol
CID 166020825
2-[2-[2-(4-chloro-2-fluorophenyl)-2-methyl-1,3-benzodioxol-4-yl]pyrimidin-5-yl]acetic acid
CID 166020837
4-[2-(4-chloro-2-fluorophenyl)-2-methyl-1,3-benzodioxol-4-yl]-1-ethylpiperidine;formic acid
CID 155725099
4-bromo-2-(2-fluoro-4-isocyanophenyl)-2-methyl-1,3-benzodioxole
CID 155627039
5-[tert-butyl(dimethyl)silyl]oxy-1-[2-(4-chloro-2-fluorophenyl)-2-methyl-1,3-benzodioxol-4-yl]pentane-1,4-dione
CID 166020653
tert-butyl 6-[2-(4-chloro-2-fluorophenyl)-2-methyl-1,3-benzodioxol-4-yl]-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate
CID 166020655
tert-butyl (1R,6R)-5-[(2R)-2-(4-chloro-2-fluorophenyl)-2-methyl-1,3-benzodioxol-4-yl]-2,5-diazabicyclo[4.2.0]octane-2-carboxylate
CID 175872317
[2-[[2-(4-chloro-2-fluorophenyl)-2-methyl-1,3-benzodioxol-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]carbamic acid
CID 175587803
6-[[4-[2-(4-chloro-2-fluorophenyl)-2-methyl-1,3-benzodioxol-4-yl]piperidin-1-yl]methyl]-N'-hydroxy-5-methylpyridine-2-carboximidamide
CID 168875155

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-4-fluoro-2-methyl-1,3-benzodioxole?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-4-fluoro-2-methyl-1,3-benzodioxole (CID 169090437) is 2-(4-chloro-2-fluorophenyl)-4-fluoro-2-methyl-1,3-benzodioxole.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-4-fluoro-2-methyl-1,3-benzodioxole?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-4-fluoro-2-methyl-1,3-benzodioxole is CC1(c2ccc(Cl)cc2F)Oc2cccc(F)c2O1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-4-fluoro-2-methyl-1,3-benzodioxole?
The InChIKey is WXYKXRPRGNEPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O2/c1-14(9-6-5-8(15)7-11(9)17)18-12-4-2-3-10(16)13(12)19-14/h2-7H,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-4-fluoro-2-methyl-1,3-benzodioxole?
2-(4-chloro-2-fluorophenyl)-4-fluoro-2-methyl-1,3-benzodioxole has a molecular weight of 282.67 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-4-fluoro-2-methyl-1,3-benzodioxole is sourced from PubChem (CID 169090437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).