5-[3-chloro-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde

C12H6ClF3O2 — CID 22562092

IUPAC5-[3-chloro-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(Cl)c2C(F)(F)F)o1
InChIInChI=1S/C12H6ClF3O2/c13-9-3-1-2-8(11(9)12(14,15)16)10-5-4-7(6-17)18-10/h1-6H
InChIKeyKMGLGJIWSILTHA-UHFFFAOYSA-N
MW274.63 g/mol
LogP4.43
Rot. Bonds2

About 5-[3-chloro-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde

5-[3-chloro-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde (PubChem CID 22562092) has the molecular formula C12H6ClF3O2 and a molecular weight of 274.63 g/mol. Its IUPAC name is 5-[3-chloro-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-chloro-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde
PubChem CID22562092
Molecular FormulaC12H6ClF3O2
Molecular Weight274.63 g/mol
Exact Mass274.00
IUPAC Name5-[3-chloro-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(Cl)c2C(F)(F)F)o1
InChIInChI=1S/C12H6ClF3O2/c13-9-3-1-2-8(11(9)12(14,15)16)10-5-4-7(6-17)18-10/h1-6H
InChIKeyKMGLGJIWSILTHA-UHFFFAOYSA-N
XLogP4.43
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.63
LogP ≤ 54.43
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 5-[3-chloro-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-chloro-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde (CID 22562092) is 5-[3-chloro-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-chloro-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-chloro-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2cccc(Cl)c2C(F)(F)F)o1.
What is the InChIKey of 5-[3-chloro-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The InChIKey is KMGLGJIWSILTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3O2/c13-9-3-1-2-8(11(9)12(14,15)16)10-5-4-7(6-17)18-10/h1-6H.
What are the key properties of 5-[3-chloro-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
5-[3-chloro-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde has a molecular weight of 274.63 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 22562092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).