5-[3-(3,3-difluorocyclobutyl)phenyl]furan-2-carbaldehyde

C15H12F2O2 — CID 169334742

IUPAC5-[3-(3,3-difluorocyclobutyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(C3CC(F)(F)C3)c2)o1
InChIInChI=1S/C15H12F2O2/c16-15(17)7-12(8-15)10-2-1-3-11(6-10)14-5-4-13(9-18)19-14/h1-6,9,12H,7-8H2
InChIKeyQWGZQTNDPUAIJK-UHFFFAOYSA-N
MW262.25 g/mol
LogP4.27
Rot. Bonds3

About 5-[3-(3,3-difluorocyclobutyl)phenyl]furan-2-carbaldehyde

5-[3-(3,3-difluorocyclobutyl)phenyl]furan-2-carbaldehyde (PubChem CID 169334742) has the molecular formula C15H12F2O2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 5-[3-(3,3-difluorocyclobutyl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-(3,3-difluorocyclobutyl)phenyl]furan-2-carbaldehyde
PubChem CID169334742
Molecular FormulaC15H12F2O2
Molecular Weight262.25 g/mol
Exact Mass262.08
IUPAC Name5-[3-(3,3-difluorocyclobutyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(C3CC(F)(F)C3)c2)o1
InChIInChI=1S/C15H12F2O2/c16-15(17)7-12(8-15)10-2-1-3-11(6-10)14-5-4-13(9-18)19-14/h1-6,9,12H,7-8H2
InChIKeyQWGZQTNDPUAIJK-UHFFFAOYSA-N
XLogP4.27
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-cyclopropyloxyphenyl)furan-2-carbaldehyde
CID 106886623
5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde
CID 169332976
5-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde
CID 169333937
5-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]furan-2-carbaldehyde
CID 169333082
5-[3-(4-fluorophenoxy)phenyl]furan-2-carbaldehyde
CID 169334086
5-(5-formylfuran-3-yl)furan-2-carbaldehyde
CID 175213129
5-[3-(4-methylsulfanylphenyl)phenyl]furan-2-carbaldehyde
CID 169332998
5-[3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde
CID 169332676
5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carbaldehyde
CID 169335271
furan;5-phenylfuran-2-carbaldehyde
CID 175007564
5-[3-(4-methylpiperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
CID 169332252
5-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]furan-2-carbaldehyde
CID 169332740

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,3-difluorocyclobutyl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-(3,3-difluorocyclobutyl)phenyl]furan-2-carbaldehyde (CID 169334742) is 5-[3-(3,3-difluorocyclobutyl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-(3,3-difluorocyclobutyl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-(3,3-difluorocyclobutyl)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2cccc(C3CC(F)(F)C3)c2)o1.
What is the InChIKey of 5-[3-(3,3-difluorocyclobutyl)phenyl]furan-2-carbaldehyde?
The InChIKey is QWGZQTNDPUAIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2/c16-15(17)7-12(8-15)10-2-1-3-11(6-10)14-5-4-13(9-18)19-14/h1-6,9,12H,7-8H2.
What are the key properties of 5-[3-(3,3-difluorocyclobutyl)phenyl]furan-2-carbaldehyde?
5-[3-(3,3-difluorocyclobutyl)phenyl]furan-2-carbaldehyde has a molecular weight of 262.25 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,3-difluorocyclobutyl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).