4-bromo-5-(4-fluorophenyl)thiophene-2-carbaldehyde

C11H6BrFOS — CID 101061664

IUPAC4-bromo-5-(4-fluorophenyl)thiophene-2-carbaldehyde
SMILESO=Cc1cc(Br)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C11H6BrFOS/c12-10-5-9(6-14)15-11(10)7-1-3-8(13)4-2-7/h1-6H
InChIKeyBMVHRIGGUHEWRG-UHFFFAOYSA-N
MW285.14 g/mol
LogP4.13
Rot. Bonds2

About 4-bromo-5-(4-fluorophenyl)thiophene-2-carbaldehyde

4-bromo-5-(4-fluorophenyl)thiophene-2-carbaldehyde (PubChem CID 101061664) has the molecular formula C11H6BrFOS and a molecular weight of 285.14 g/mol. Its IUPAC name is 4-bromo-5-(4-fluorophenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-bromo-5-(4-fluorophenyl)thiophene-2-carbaldehyde
PubChem CID101061664
Molecular FormulaC11H6BrFOS
Molecular Weight285.14 g/mol
Exact Mass283.93
IUPAC Name4-bromo-5-(4-fluorophenyl)thiophene-2-carbaldehyde
SMILESO=Cc1cc(Br)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C11H6BrFOS/c12-10-5-9(6-14)15-11(10)7-1-3-8(13)4-2-7/h1-6H
InChIKeyBMVHRIGGUHEWRG-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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Related Compounds

5-Bromo-1-benzothiophene-3-carbaldehyde
CID 7537499
5-Phenylthiophene-2-carbaldehyde
CID 177053
3-Bromo-1-benzothiophene-2-carbaldehyde
CID 12506014
(2E)-1-(4-bromophenyl)-3-(thiophen-2-yl)prop-2-en-1-one
CID 5285183
(5-Bromo-2-thienyl)phenylmethanone
CID 298604
5-(4-Fluorophenyl)-2-thiophenecarboxaldehyde
CID 3577778
2-Bromo-1-benzothiophene-3-carbaldehyde
CID 12317268
(E)-3-(3-bromo-4-fluorophenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 127036672
2-Fluoro-3-(thiophen-3-yl)benzaldehyde
CID 18471198
5-(4-Bromophenyl)thiophene-2-carbaldehyde
CID 3578056
5-(4-Methylphenyl)thiophene-2-carbaldehyde
CID 3587171
4-Phenylthiophene-2-carbaldehyde
CID 5009467

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-fluorophenyl)thiophene-2-carbaldehyde?
The IUPAC name of 4-bromo-5-(4-fluorophenyl)thiophene-2-carbaldehyde (CID 101061664) is 4-bromo-5-(4-fluorophenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 4-bromo-5-(4-fluorophenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 4-bromo-5-(4-fluorophenyl)thiophene-2-carbaldehyde is O=Cc1cc(Br)c(-c2ccc(F)cc2)s1.
What is the InChIKey of 4-bromo-5-(4-fluorophenyl)thiophene-2-carbaldehyde?
The InChIKey is BMVHRIGGUHEWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFOS/c12-10-5-9(6-14)15-11(10)7-1-3-8(13)4-2-7/h1-6H.
What are the key properties of 4-bromo-5-(4-fluorophenyl)thiophene-2-carbaldehyde?
4-bromo-5-(4-fluorophenyl)thiophene-2-carbaldehyde 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 4-bromo-5-(4-fluorophenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 101061664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).