2-(4-bromothiophen-2-yl)-2,2-difluoroacetaldehyde

C6H3BrF2OS — CID 87456862

IUPAC2-(4-bromothiophen-2-yl)-2,2-difluoroacetaldehyde
SMILESO=CC(F)(F)c1cc(Br)cs1
InChIInChI=1S/C6H3BrF2OS/c7-4-1-5(11-2-4)6(8,9)3-10/h1-3H
InChIKeyJVGRJIGYYMLYOT-UHFFFAOYSA-N
MW241.06 g/mol
LogP2.80
Rot. Bonds2

About 2-(4-bromothiophen-2-yl)-2,2-difluoroacetaldehyde

2-(4-bromothiophen-2-yl)-2,2-difluoroacetaldehyde (PubChem CID 87456862) has the molecular formula C6H3BrF2OS and a molecular weight of 241.06 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2,2-difluoroacetaldehyde.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2,2-difluoroacetaldehyde
PubChem CID87456862
Molecular FormulaC6H3BrF2OS
Molecular Weight241.06 g/mol
Exact Mass239.91
IUPAC Name2-(4-bromothiophen-2-yl)-2,2-difluoroacetaldehyde
SMILESO=CC(F)(F)c1cc(Br)cs1
InChIInChI=1S/C6H3BrF2OS/c7-4-1-5(11-2-4)6(8,9)3-10/h1-3H
InChIKeyJVGRJIGYYMLYOT-UHFFFAOYSA-N
XLogP2.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.06
LogP ≤ 52.80
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

4-Bromothiophene-2-carbaldehyde
CID 87792
3-Bromothiophene-2-carboxaldehyde
CID 2797079
4-Bromo-5-methylthiophene-2-carbaldehyde
CID 15538212
1-(4-Bromo-Thiophen-2-Yl)-2,2,2-Trifluoro-Ethanone
CID 53407990
3-Bromo-5-(trifluoromethyl)thiophene-2-carbaldehyde
CID 131357282
3-Bromo-5-methylthiophene-2-carbaldehyde
CID 818885
1-(4-Bromothiophen-2-yl)-2,2-difluoroethan-1-one
CID 86648052
4-Bromo-5-(trifluoromethyl)thiophene-2-carbaldehyde
CID 86707392
2-(5-Bromothiophen-2-yl)-2-fluoroacetaldehyde
CID 87697588
2-Bromo-2-(5-fluorothiophen-2-yl)acetaldehyde
CID 87814358
2-(5-Bromothiophen-2-yl)-2,2-difluoroacetaldehyde
CID 105502536
2-(5-Bromo-3-fluorothiophen-2-yl)acetaldehyde
CID 123563825

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2,2-difluoroacetaldehyde?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2,2-difluoroacetaldehyde (CID 87456862) is 2-(4-bromothiophen-2-yl)-2,2-difluoroacetaldehyde.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2,2-difluoroacetaldehyde?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2,2-difluoroacetaldehyde is O=CC(F)(F)c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2,2-difluoroacetaldehyde?
The InChIKey is JVGRJIGYYMLYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF2OS/c7-4-1-5(11-2-4)6(8,9)3-10/h1-3H.
What are the key properties of 2-(4-bromothiophen-2-yl)-2,2-difluoroacetaldehyde?
2-(4-bromothiophen-2-yl)-2,2-difluoroacetaldehyde has a molecular weight of 241.06 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-2,2-difluoroacetaldehyde is sourced from PubChem (CID 87456862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).