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

C13H7F5O3 — CID 169333944

IUPAC5-[5-(difluoromethoxy)-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(OC(F)F)ccc2C(F)(F)F)o1
InChIInChI=1S/C13H7F5O3/c14-12(15)21-7-1-3-10(13(16,17)18)9(5-7)11-4-2-8(6-19)20-11/h1-6,12H
InChIKeyXZZAYCYJEXUMFA-UHFFFAOYSA-N
MW306.19 g/mol
LogP4.38
Rot. Bonds4

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

5-[5-(difluoromethoxy)-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde (PubChem CID 169333944) has the molecular formula C13H7F5O3 and a molecular weight of 306.19 g/mol. Its IUPAC name is 5-[5-(difluoromethoxy)-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[5-(difluoromethoxy)-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde
PubChem CID169333944
Molecular FormulaC13H7F5O3
Molecular Weight306.19 g/mol
Exact Mass306.03
IUPAC Name5-[5-(difluoromethoxy)-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(OC(F)F)ccc2C(F)(F)F)o1
InChIInChI=1S/C13H7F5O3/c14-12(15)21-7-1-3-10(13(16,17)18)9(5-7)11-4-2-8(6-19)20-11/h1-6,12H
InChIKeyXZZAYCYJEXUMFA-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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Related Compounds

5-[2-(difluoromethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169335505
4-(difluoromethoxy)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 119025174
5-[2-(2,2-difluoroethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169334678
4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene
CID 71669364
5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde
CID 169335432
4-(difluoromethoxy)-2-nitro-1-(trifluoromethyl)benzene
CID 71669510
1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene
CID 134628110
5-[5-bromo-2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
CID 169336035
5-(5-ethoxy-2-nitrophenyl)furan-2-carbaldehyde
CID 169332012
2-(5-formylfuran-2-yl)-4-methoxybenzenesulfonic acid
CID 169334858
6-(difluoromethoxy)naphthalene-2-carbaldehyde
CID 118848493
2,4-bis(difluoromethoxy)benzaldehyde
CID 4218025

Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethoxy)-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[5-(difluoromethoxy)-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde (CID 169333944) is 5-[5-(difluoromethoxy)-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[5-(difluoromethoxy)-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[5-(difluoromethoxy)-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2cc(OC(F)F)ccc2C(F)(F)F)o1.
What is the InChIKey of 5-[5-(difluoromethoxy)-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The InChIKey is XZZAYCYJEXUMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5O3/c14-12(15)21-7-1-3-10(13(16,17)18)9(5-7)11-4-2-8(6-19)20-11/h1-6,12H.
What are the key properties of 5-[5-(difluoromethoxy)-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
5-[5-(difluoromethoxy)-2-(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-[5-(difluoromethoxy)-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169333944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).