2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol

C10H10BrFO3 — CID 117443582

IUPAC2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol
SMILESCC(CO)c1c(F)c(Br)cc2c1OCO2
InChIInChI=1S/C10H10BrFO3/c1-5(3-13)8-9(12)6(11)2-7-10(8)15-4-14-7/h2,5,13H,3-4H2,1H3
InChIKeyZIOZSADIZXJXPZ-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.41
Rot. Bonds2

About 2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol

2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol (PubChem CID 117443582) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is 2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol
PubChem CID117443582
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Name2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol
SMILESCC(CO)c1c(F)c(Br)cc2c1OCO2
InChIInChI=1S/C10H10BrFO3/c1-5(3-13)8-9(12)6(11)2-7-10(8)15-4-14-7/h2,5,13H,3-4H2,1H3
InChIKeyZIOZSADIZXJXPZ-UHFFFAOYSA-N
XLogP2.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propanoic acid
CID 117469926
2-(5,6-dimethyl-1,3-benzodioxol-4-yl)propan-1-ol
CID 117297529
methyl 2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)-2-hydroxyacetate
CID 117491996
3-(7-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)butanal
CID 117487860
3-(6-bromo-4-fluoro-1,3-benzodioxol-5-yl)butan-1-amine
CID 117468293
2-amino-2-(6-bromo-5-methyl-1,3-benzodioxol-4-yl)ethanol
CID 117437407
2-(7-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol
CID 117488076
6-bromo-4-(1-hydroxyethyl)-1,3-benzodioxol-5-ol
CID 84710343
2-(5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol
CID 117300233
3-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol
CID 117443600
2-(7-bromo-4-propan-2-yl-1,3-benzodioxol-5-yl)propan-1-ol
CID 117485132
2-(7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 117468334

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol?
The IUPAC name of 2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol (CID 117443582) is 2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol.
What is the SMILES notation for 2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol?
The canonical SMILES for 2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol is CC(CO)c1c(F)c(Br)cc2c1OCO2.
What is the InChIKey of 2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol?
The InChIKey is ZIOZSADIZXJXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3/c1-5(3-13)8-9(12)6(11)2-7-10(8)15-4-14-7/h2,5,13H,3-4H2,1H3.
What are the key properties of 2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol?
2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol has a molecular weight of 277.09 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol is sourced from PubChem (CID 117443582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).