5-[2-(difluoromethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde

C13H7F5O3 — CID 169335505

IUPAC5-[2-(difluoromethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(C(F)(F)F)ccc2OC(F)F)o1
InChIInChI=1S/C13H7F5O3/c14-12(15)21-11-3-1-7(13(16,17)18)5-9(11)10-4-2-8(6-19)20-10/h1-6,12H
InChIKeyJMWLGXWGSTXQIG-UHFFFAOYSA-N
MW306.19 g/mol
LogP4.38
Rot. Bonds4

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

5-[2-(difluoromethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde (PubChem CID 169335505) has the molecular formula C13H7F5O3 and a molecular weight of 306.19 g/mol. Its IUPAC name is 5-[2-(difluoromethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(difluoromethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
PubChem CID169335505
Molecular FormulaC13H7F5O3
Molecular Weight306.19 g/mol
Exact Mass306.03
IUPAC Name5-[2-(difluoromethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(C(F)(F)F)ccc2OC(F)F)o1
InChIInChI=1S/C13H7F5O3/c14-12(15)21-11-3-1-7(13(16,17)18)5-9(11)10-4-2-8(6-19)20-10/h1-6,12H
InChIKeyJMWLGXWGSTXQIG-UHFFFAOYSA-N
XLogP4.38
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(difluoromethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-(difluoromethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde (CID 169335505) is 5-[2-(difluoromethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-(difluoromethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-(difluoromethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2cc(C(F)(F)F)ccc2OC(F)F)o1.
What is the InChIKey of 5-[2-(difluoromethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The InChIKey is JMWLGXWGSTXQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5O3/c14-12(15)21-11-3-1-7(13(16,17)18)5-9(11)10-4-2-8(6-19)20-10/h1-6,12H.
What are the key properties of 5-[2-(difluoromethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
5-[2-(difluoromethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde has a molecular weight of 306.19 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169335505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).