4-fluoro-3-hydroxybenzaldehyde;tribromoborane

C7H5BBr3FO2 — CID 160631935

IUPAC4-fluoro-3-hydroxybenzaldehyde;tribromoborane
SMILESBrB(Br)Br.O=Cc1ccc(F)c(O)c1
InChIInChI=1S/C7H5FO2.BBr3/c8-6-2-1-5(4-9)3-7(6)10;2-1(3)4/h1-4,10H;
InChIKeyRIAJIYRIKWGEQD-UHFFFAOYSA-N
MW390.64 g/mol
LogP3.50
Rot. Bonds1

About 4-fluoro-3-hydroxybenzaldehyde;tribromoborane

4-fluoro-3-hydroxybenzaldehyde;tribromoborane (PubChem CID 160631935) has the molecular formula C7H5BBr3FO2 and a molecular weight of 390.64 g/mol. Its IUPAC name is 4-fluoro-3-hydroxybenzaldehyde;tribromoborane.

Molecular Properties

Compound Name4-fluoro-3-hydroxybenzaldehyde;tribromoborane
PubChem CID160631935
Molecular FormulaC7H5BBr3FO2
Molecular Weight390.64 g/mol
Exact Mass387.79
IUPAC Name4-fluoro-3-hydroxybenzaldehyde;tribromoborane
SMILESBrB(Br)Br.O=Cc1ccc(F)c(O)c1
InChIInChI=1S/C7H5FO2.BBr3/c8-6-2-1-5(4-9)3-7(6)10;2-1(3)4/h1-4,10H;
InChIKeyRIAJIYRIKWGEQD-UHFFFAOYSA-N
XLogP3.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.64
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde
CID 176967469
2,3-dihydroxybenzaldehyde;3,4-dihydroxybenzaldehyde
CID 160982415
(E)-3-(4-fluoro-3-hydroxyphenyl)prop-2-enoyl iodide
CID 163931777
3,4,5-trihydroxybenzaldehyde
CID 157253405
3-(bromomethyl)-4-fluorobenzaldehyde;ethane
CID 145351644
2-fluoro-5-formylbenzenesulfonamide
CID 112756760
3-bromo-2-hydroxybenzaldehyde;3-chloro-4-fluorobenzaldehyde
CID 87301645
4,5-dihydroxybenzene-1,3-dicarbaldehyde
CID 19069872
benzaldehyde;3,4-dihydroxybenzaldehyde
CID 160880582
3-bromo-4-fluoro-5-hydroxybenzaldehyde
CID 84786434
2-fluoro-5-(4-hydroxybut-1-enyl)phenol
CID 170476152
3-hydroxy-4-methoxybenzaldehyde
CID 87256894

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-hydroxybenzaldehyde;tribromoborane?
The IUPAC name of 4-fluoro-3-hydroxybenzaldehyde;tribromoborane (CID 160631935) is 4-fluoro-3-hydroxybenzaldehyde;tribromoborane.
What is the SMILES notation for 4-fluoro-3-hydroxybenzaldehyde;tribromoborane?
The canonical SMILES for 4-fluoro-3-hydroxybenzaldehyde;tribromoborane is BrB(Br)Br.O=Cc1ccc(F)c(O)c1.
What is the InChIKey of 4-fluoro-3-hydroxybenzaldehyde;tribromoborane?
The InChIKey is RIAJIYRIKWGEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FO2.BBr3/c8-6-2-1-5(4-9)3-7(6)10;2-1(3)4/h1-4,10H;.
What are the key properties of 4-fluoro-3-hydroxybenzaldehyde;tribromoborane?
4-fluoro-3-hydroxybenzaldehyde;tribromoborane has a molecular weight of 390.64 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-hydroxybenzaldehyde;tribromoborane is sourced from PubChem (CID 160631935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).