2-bromo-6-fluoro-3,4,5-trimethylbenzaldehyde

C10H10BrFO — CID 88949536

IUPAC2-bromo-6-fluoro-3,4,5-trimethylbenzaldehyde
SMILESCc1c(C)c(F)c(C=O)c(Br)c1C
InChIInChI=1S/C10H10BrFO/c1-5-6(2)9(11)8(4-13)10(12)7(5)3/h4H,1-3H3
InChIKeyMQGOILYTHOUFHL-UHFFFAOYSA-N
MW245.09 g/mol
LogP3.33
Rot. Bonds1

About 2-bromo-6-fluoro-3,4,5-trimethylbenzaldehyde

2-bromo-6-fluoro-3,4,5-trimethylbenzaldehyde (PubChem CID 88949536) has the molecular formula C10H10BrFO and a molecular weight of 245.09 g/mol. Its IUPAC name is 2-bromo-6-fluoro-3,4,5-trimethylbenzaldehyde.

Molecular Properties

Compound Name2-bromo-6-fluoro-3,4,5-trimethylbenzaldehyde
PubChem CID88949536
Molecular FormulaC10H10BrFO
Molecular Weight245.09 g/mol
Exact Mass243.99
IUPAC Name2-bromo-6-fluoro-3,4,5-trimethylbenzaldehyde
SMILESCc1c(C)c(F)c(C=O)c(Br)c1C
InChIInChI=1S/C10H10BrFO/c1-5-6(2)9(11)8(4-13)10(12)7(5)3/h4H,1-3H3
InChIKeyMQGOILYTHOUFHL-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-3,4,5-trimethylbenzaldehyde?
The IUPAC name of 2-bromo-6-fluoro-3,4,5-trimethylbenzaldehyde (CID 88949536) is 2-bromo-6-fluoro-3,4,5-trimethylbenzaldehyde.
What is the SMILES notation for 2-bromo-6-fluoro-3,4,5-trimethylbenzaldehyde?
The canonical SMILES for 2-bromo-6-fluoro-3,4,5-trimethylbenzaldehyde is Cc1c(C)c(F)c(C=O)c(Br)c1C.
What is the InChIKey of 2-bromo-6-fluoro-3,4,5-trimethylbenzaldehyde?
The InChIKey is MQGOILYTHOUFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO/c1-5-6(2)9(11)8(4-13)10(12)7(5)3/h4H,1-3H3.
What are the key properties of 2-bromo-6-fluoro-3,4,5-trimethylbenzaldehyde?
2-bromo-6-fluoro-3,4,5-trimethylbenzaldehyde has a molecular weight of 245.09 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-3,4,5-trimethylbenzaldehyde is sourced from PubChem (CID 88949536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).