5-bromo-6-(2-fluoropropan-2-yl)-1,3-benzodioxole

C10H10BrFO2 — CID 84710382

IUPAC5-bromo-6-(2-fluoropropan-2-yl)-1,3-benzodioxole
SMILESCC(C)(F)c1cc2c(cc1Br)OCO2
InChIInChI=1S/C10H10BrFO2/c1-10(2,12)6-3-8-9(4-7(6)11)14-5-13-8/h3-4H,5H2,1-2H3
InChIKeyOIFGDHASAPLIHX-UHFFFAOYSA-N
MW261.09 g/mol
LogP3.38
Rot. Bonds1

About 5-bromo-6-(2-fluoropropan-2-yl)-1,3-benzodioxole

5-bromo-6-(2-fluoropropan-2-yl)-1,3-benzodioxole (PubChem CID 84710382) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 5-bromo-6-(2-fluoropropan-2-yl)-1,3-benzodioxole.

Molecular Properties

Compound Name5-bromo-6-(2-fluoropropan-2-yl)-1,3-benzodioxole
PubChem CID84710382
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name5-bromo-6-(2-fluoropropan-2-yl)-1,3-benzodioxole
SMILESCC(C)(F)c1cc2c(cc1Br)OCO2
InChIInChI=1S/C10H10BrFO2/c1-10(2,12)6-3-8-9(4-7(6)11)14-5-13-8/h3-4H,5H2,1-2H3
InChIKeyOIFGDHASAPLIHX-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-bromo-1,3-benzodioxol-5-yl)propan-2-ol
CID 84709686
1-[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]ethanamine
CID 84689779
1-[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]ethanol
CID 84690463
1-[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]propan-2-ol
CID 117353229
3-[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]-3-methylbutanoic acid
CID 117453604
[7-(2-fluoropropan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]methanamine
CID 84701271
5-(1,1-difluoroethyl)-1,3-benzodioxole
CID 116841522
1-[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]-2-(methylamino)ethanol
CID 117391092
2-[7-(2-fluoropropan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]ethanamine
CID 117386152
(1S)-1-(6-bromo-1,3-benzodioxol-5-yl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171250775
1-[6-(1,1-difluoroethyl)-1,3-benzodioxol-5-yl]-N-methylmethanamine
CID 84692547
O-[2-[6-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]ethyl]hydroxylamine
CID 117391049

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2-fluoropropan-2-yl)-1,3-benzodioxole?
The IUPAC name of 5-bromo-6-(2-fluoropropan-2-yl)-1,3-benzodioxole (CID 84710382) is 5-bromo-6-(2-fluoropropan-2-yl)-1,3-benzodioxole.
What is the SMILES notation for 5-bromo-6-(2-fluoropropan-2-yl)-1,3-benzodioxole?
The canonical SMILES for 5-bromo-6-(2-fluoropropan-2-yl)-1,3-benzodioxole is CC(C)(F)c1cc2c(cc1Br)OCO2.
What is the InChIKey of 5-bromo-6-(2-fluoropropan-2-yl)-1,3-benzodioxole?
The InChIKey is OIFGDHASAPLIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-10(2,12)6-3-8-9(4-7(6)11)14-5-13-8/h3-4H,5H2,1-2H3.
What are the key properties of 5-bromo-6-(2-fluoropropan-2-yl)-1,3-benzodioxole?
5-bromo-6-(2-fluoropropan-2-yl)-1,3-benzodioxole has a molecular weight of 261.09 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2-fluoropropan-2-yl)-1,3-benzodioxole is sourced from PubChem (CID 84710382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).