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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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).