5-[5-bromo-2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde

C12H6BrF3O3 — CID 169336035

IUPAC5-[5-bromo-2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(Br)ccc2OC(F)(F)F)o1
InChIInChI=1S/C12H6BrF3O3/c13-7-1-3-11(19-12(14,15)16)9(5-7)10-4-2-8(6-17)18-10/h1-6H
InChIKeyYGDPFUBZNIUCBH-UHFFFAOYSA-N
MW335.08 g/mol
LogP4.42
Rot. Bonds3

About 5-[5-bromo-2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde

5-[5-bromo-2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde (PubChem CID 169336035) has the molecular formula C12H6BrF3O3 and a molecular weight of 335.08 g/mol. Its IUPAC name is 5-[5-bromo-2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[5-bromo-2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
PubChem CID169336035
Molecular FormulaC12H6BrF3O3
Molecular Weight335.08 g/mol
Exact Mass333.95
IUPAC Name5-[5-bromo-2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(Br)ccc2OC(F)(F)F)o1
InChIInChI=1S/C12H6BrF3O3/c13-7-1-3-11(19-12(14,15)16)9(5-7)10-4-2-8(6-17)18-10/h1-6H
InChIKeyYGDPFUBZNIUCBH-UHFFFAOYSA-N
XLogP4.42
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.08
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-bromo-3-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
CID 169334326
5-[4-bromo-2-chloro-6-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
CID 169332018
5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde
CID 169331808
5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde
CID 169333559
5-[2-(difluoromethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169335505
5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde
CID 169335342
5-[2-(2,2-difluoroethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169334678
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
5-(2-bromo-5-methylphenyl)furan-2-carbaldehyde
CID 82767033
5-(3-bromo-2,5-dimethylphenyl)furan-2-carbaldehyde
CID 169332790
5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde
CID 169332004
5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]furan-2-carbaldehyde
CID 169335837

Frequently Asked Questions

What is the IUPAC name of 5-[5-bromo-2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[5-bromo-2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde (CID 169336035) is 5-[5-bromo-2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[5-bromo-2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[5-bromo-2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2cc(Br)ccc2OC(F)(F)F)o1.
What is the InChIKey of 5-[5-bromo-2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde?
The InChIKey is YGDPFUBZNIUCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF3O3/c13-7-1-3-11(19-12(14,15)16)9(5-7)10-4-2-8(6-17)18-10/h1-6H.
What are the key properties of 5-[5-bromo-2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde?
5-[5-bromo-2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde has a molecular weight of 335.08 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-bromo-2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169336035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).