5-bromo-2-fluoro-1,3-benzodioxole

C7H4BrFO2 — CID 143412391

IUPAC5-bromo-2-fluoro-1,3-benzodioxole
SMILESFC1Oc2ccc(Br)cc2O1
InChIInChI=1S/C7H4BrFO2/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3,7H
InChIKeyRHOJAWVNQNPROU-UHFFFAOYSA-N
MW219.01 g/mol
LogP2.47
Rot. Bonds

About 5-bromo-2-fluoro-1,3-benzodioxole

5-bromo-2-fluoro-1,3-benzodioxole (PubChem CID 143412391) has the molecular formula C7H4BrFO2 and a molecular weight of 219.01 g/mol. Its IUPAC name is 5-bromo-2-fluoro-1,3-benzodioxole.

Molecular Properties

Compound Name5-bromo-2-fluoro-1,3-benzodioxole
PubChem CID143412391
Molecular FormulaC7H4BrFO2
Molecular Weight219.01 g/mol
Exact Mass217.94
IUPAC Name5-bromo-2-fluoro-1,3-benzodioxole
SMILESFC1Oc2ccc(Br)cc2O1
InChIInChI=1S/C7H4BrFO2/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3,7H
InChIKeyRHOJAWVNQNPROU-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.01
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-5-bromo-2-methyl-1,3-benzodioxole
CID 67447010
6-bromo-2-ethyl-2,3-dihydro-1,4-benzodioxine
CID 123581940
6-bromo-2,3-dihydro-1,4-benzodioxine-3-carbaldehyde
CID 117046659
6-bromo-2,3-dihydro-1,4-benzodioxine-3-carbonitrile
CID 117046660
(1S,9R)-4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 1226589
(2S,3R)-6-bromo-2,3-dichloro-2,3-difluoro-1,4-benzodioxine
CID 97109380
6-bromo-3-(2-methoxypropyl)-2,3-dihydro-1,4-benzodioxine
CID 129037053
5-bromo-2-(trifluoromethyl)-2,3-dihydro-1,3-benzoxazole
CID 166973305
(6-bromo-4-oxo-2,3-dihydrochromen-2-yl)-trifluoroboranuide
CID 132571084
6-bromo-2,2,3,3-tetradeuterio-1,4-benzodioxine
CID 137498464
5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 93279299

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-1,3-benzodioxole?
The IUPAC name of 5-bromo-2-fluoro-1,3-benzodioxole (CID 143412391) is 5-bromo-2-fluoro-1,3-benzodioxole.
What is the SMILES notation for 5-bromo-2-fluoro-1,3-benzodioxole?
The canonical SMILES for 5-bromo-2-fluoro-1,3-benzodioxole is FC1Oc2ccc(Br)cc2O1.
What is the InChIKey of 5-bromo-2-fluoro-1,3-benzodioxole?
The InChIKey is RHOJAWVNQNPROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFO2/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3,7H.
What are the key properties of 5-bromo-2-fluoro-1,3-benzodioxole?
5-bromo-2-fluoro-1,3-benzodioxole has a molecular weight of 219.01 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-1,3-benzodioxole is sourced from PubChem (CID 143412391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).