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

C10H10BrFO3 — CID 117443600

IUPAC3-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol
SMILESOCCCc1c(F)c(Br)cc2c1OCO2
InChIInChI=1S/C10H10BrFO3/c11-7-4-8-10(15-5-14-8)6(9(7)12)2-1-3-13/h4,13H,1-3,5H2
InChIKeyCIBHZKQBUJPCSS-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.24
Rot. Bonds3

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

3-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol (PubChem CID 117443600) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is 3-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol
PubChem CID117443600
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Name3-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol
SMILESOCCCc1c(F)c(Br)cc2c1OCO2
InChIInChI=1S/C10H10BrFO3/c11-7-4-8-10(15-5-14-8)6(9(7)12)2-1-3-13/h4,13H,1-3,5H2
InChIKeyCIBHZKQBUJPCSS-UHFFFAOYSA-N
XLogP2.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)propan-1-ol
CID 117328430
1-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine
CID 117468385
3-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117470159
3-(5-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117470162
6-bromo-4-ethyl-1,3-benzodioxol-5-ol
CID 84704791
2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol
CID 117443582
6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol
CID 117420933
6-fluoro-7-(hydroxymethyl)-1,3-benzodioxol-5-ol
CID 117280329
6-bromo-7-(3-hydroxypropyl)-1,3-benzodioxole-4-carbaldehyde
CID 117462717
O-[2-(8-bromo-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)ethyl]hydroxylamine
CID 117491175
4-(aminooxymethyl)-6-bromo-1,3-benzodioxol-5-ol
CID 117409291
3-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)propan-1-ol
CID 117329520

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol?
The IUPAC name of 3-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol (CID 117443600) is 3-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol?
The canonical SMILES for 3-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol is OCCCc1c(F)c(Br)cc2c1OCO2.
What is the InChIKey of 3-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol?
The InChIKey is CIBHZKQBUJPCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3/c11-7-4-8-10(15-5-14-8)6(9(7)12)2-1-3-13/h4,13H,1-3,5H2.
What are the key properties of 3-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol?
3-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol has a molecular weight of 277.09 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol is sourced from PubChem (CID 117443600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).