3-(4-bromothiophen-3-yl)-4-fluorobenzaldehyde

C11H6BrFOS — CID 79601958

IUPAC3-(4-bromothiophen-3-yl)-4-fluorobenzaldehyde
SMILESO=Cc1ccc(F)c(-c2cscc2Br)c1
InChIInChI=1S/C11H6BrFOS/c12-10-6-15-5-9(10)8-3-7(4-14)1-2-11(8)13/h1-6H
InChIKeyGOYVMCDWNLGRKW-UHFFFAOYSA-N
MW285.14 g/mol
LogP4.13
Rot. Bonds2

About 3-(4-bromothiophen-3-yl)-4-fluorobenzaldehyde

3-(4-bromothiophen-3-yl)-4-fluorobenzaldehyde (PubChem CID 79601958) has the molecular formula C11H6BrFOS and a molecular weight of 285.14 g/mol. Its IUPAC name is 3-(4-bromothiophen-3-yl)-4-fluorobenzaldehyde.

Molecular Properties

Compound Name3-(4-bromothiophen-3-yl)-4-fluorobenzaldehyde
PubChem CID79601958
Molecular FormulaC11H6BrFOS
Molecular Weight285.14 g/mol
Exact Mass283.93
IUPAC Name3-(4-bromothiophen-3-yl)-4-fluorobenzaldehyde
SMILESO=Cc1ccc(F)c(-c2cscc2Br)c1
InChIInChI=1S/C11H6BrFOS/c12-10-6-15-5-9(10)8-3-7(4-14)1-2-11(8)13/h1-6H
InChIKeyGOYVMCDWNLGRKW-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-3-yl)-4-fluorobenzaldehyde?
The IUPAC name of 3-(4-bromothiophen-3-yl)-4-fluorobenzaldehyde (CID 79601958) is 3-(4-bromothiophen-3-yl)-4-fluorobenzaldehyde.
What is the SMILES notation for 3-(4-bromothiophen-3-yl)-4-fluorobenzaldehyde?
The canonical SMILES for 3-(4-bromothiophen-3-yl)-4-fluorobenzaldehyde is O=Cc1ccc(F)c(-c2cscc2Br)c1.
What is the InChIKey of 3-(4-bromothiophen-3-yl)-4-fluorobenzaldehyde?
The InChIKey is GOYVMCDWNLGRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFOS/c12-10-6-15-5-9(10)8-3-7(4-14)1-2-11(8)13/h1-6H.
What are the key properties of 3-(4-bromothiophen-3-yl)-4-fluorobenzaldehyde?
3-(4-bromothiophen-3-yl)-4-fluorobenzaldehyde has a molecular weight of 285.14 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-3-yl)-4-fluorobenzaldehyde is sourced from PubChem (CID 79601958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).