5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde

C11H5BrF2O2 — CID 169332004

IUPAC5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(F)cc(F)c2Br)o1
InChIInChI=1S/C11H5BrF2O2/c12-11-8(3-6(13)4-9(11)14)10-2-1-7(5-15)16-10/h1-5H
InChIKeyOKRWWPKPWQCVQT-UHFFFAOYSA-N
MW287.06 g/mol
LogP3.80
Rot. Bonds2

About 5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde

5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde (PubChem CID 169332004) has the molecular formula C11H5BrF2O2 and a molecular weight of 287.06 g/mol. Its IUPAC name is 5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde
PubChem CID169332004
Molecular FormulaC11H5BrF2O2
Molecular Weight287.06 g/mol
Exact Mass285.94
IUPAC Name5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(F)cc(F)c2Br)o1
InChIInChI=1S/C11H5BrF2O2/c12-11-8(3-6(13)4-9(11)14)10-2-1-7(5-15)16-10/h1-5H
InChIKeyOKRWWPKPWQCVQT-UHFFFAOYSA-N
XLogP3.80
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.06
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde
CID 169335394
5-(2-fluoro-5-methylphenyl)furan-2-carbaldehyde
CID 43155826
5-(2-bromo-4-chloro-6-fluorophenyl)furan-2-carbaldehyde
CID 169331721
5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde
CID 169334405
4-fluoro-2-(5-formylfuran-2-yl)-6-methylbenzonitrile
CID 169334247
5-[2-(3,4-difluorophenyl)phenyl]furan-2-carbaldehyde
CID 169333066
5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde
CID 169335342
5-(2-bromo-4-fluoro-5-nitrophenyl)furan-2-carbaldehyde
CID 169333305
5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde
CID 169331808
2-bromo-3-fluoro-6-(5-formylfuran-2-yl)-5-methylbenzoic acid
CID 169335911
5-(5-fluoro-2-pyrrolidin-1-ylphenyl)furan-2-carbaldehyde
CID 169334507
5-(2-fluoro-4-methylsulfonylphenyl)furan-2-carbaldehyde
CID 169332145

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde (CID 169332004) is 5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2cc(F)cc(F)c2Br)o1.
What is the InChIKey of 5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde?
The InChIKey is OKRWWPKPWQCVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF2O2/c12-11-8(3-6(13)4-9(11)14)10-2-1-7(5-15)16-10/h1-5H.
What are the key properties of 5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde?
5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde has a molecular weight of 287.06 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169332004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).