5-[2-(2,2-difluoroethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde

C14H9F5O3 — CID 169334678

IUPAC5-[2-(2,2-difluoroethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(C(F)(F)F)ccc2OCC(F)F)o1
InChIInChI=1S/C14H9F5O3/c15-13(16)7-21-11-3-1-8(14(17,18)19)5-10(11)12-4-2-9(6-20)22-12/h1-6,13H,7H2
InChIKeyYMGWHXNDHKAXAG-UHFFFAOYSA-N
MW320.21 g/mol
LogP4.42
Rot. Bonds5

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

5-[2-(2,2-difluoroethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde (PubChem CID 169334678) has the molecular formula C14H9F5O3 and a molecular weight of 320.21 g/mol. Its IUPAC name is 5-[2-(2,2-difluoroethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(2,2-difluoroethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
PubChem CID169334678
Molecular FormulaC14H9F5O3
Molecular Weight320.21 g/mol
Exact Mass320.05
IUPAC Name5-[2-(2,2-difluoroethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(C(F)(F)F)ccc2OCC(F)F)o1
InChIInChI=1S/C14H9F5O3/c15-13(16)7-21-11-3-1-8(14(17,18)19)5-10(11)12-4-2-9(6-20)22-12/h1-6,13H,7H2
InChIKeyYMGWHXNDHKAXAG-UHFFFAOYSA-N
XLogP4.42
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
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-(difluoromethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169335505
5-[2-methylsulfanyl-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169336019
5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 623670
5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-iodophenyl]furan-2-carbaldehyde
CID 169335837
5-[5-bromo-2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
CID 169336035
5-[5-(difluoromethoxy)-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169333944
5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde
CID 169334432
5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169334122
5-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,4-difluorophenyl]furan-2-carbaldehyde
CID 169335848
5-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]furan-2-carbaldehyde
CID 169334696
5-(2-cyclohexyloxy-5-fluorophenyl)furan-2-carbaldehyde
CID 169334022
5-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]furan-2-carbaldehyde
CID 169334255

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,2-difluoroethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-(2,2-difluoroethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde (CID 169334678) is 5-[2-(2,2-difluoroethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-(2,2-difluoroethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-(2,2-difluoroethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2cc(C(F)(F)F)ccc2OCC(F)F)o1.
What is the InChIKey of 5-[2-(2,2-difluoroethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The InChIKey is YMGWHXNDHKAXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5O3/c15-13(16)7-21-11-3-1-8(14(17,18)19)5-10(11)12-4-2-9(6-20)22-12/h1-6,13H,7H2.
What are the key properties of 5-[2-(2,2-difluoroethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
5-[2-(2,2-difluoroethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde has a molecular weight of 320.21 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,2-difluoroethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).