5-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]furan-2-carbaldehyde

C16H11FO4 — CID 169334720

IUPAC5-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(OCc3ccco3)c(F)c2)o1
InChIInChI=1S/C16H11FO4/c17-14-8-11(15-6-4-12(9-18)21-15)3-5-16(14)20-10-13-2-1-7-19-13/h1-9H,10H2
InChIKeyVCRQFMGWIJBFMU-UHFFFAOYSA-N
MW286.26 g/mol
LogP4.07
Rot. Bonds5

About 5-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]furan-2-carbaldehyde

5-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]furan-2-carbaldehyde (PubChem CID 169334720) has the molecular formula C16H11FO4 and a molecular weight of 286.26 g/mol. Its IUPAC name is 5-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]furan-2-carbaldehyde
PubChem CID169334720
Molecular FormulaC16H11FO4
Molecular Weight286.26 g/mol
Exact Mass286.06
IUPAC Name5-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(OCc3ccco3)c(F)c2)o1
InChIInChI=1S/C16H11FO4/c17-14-8-11(15-6-4-12(9-18)21-15)3-5-16(14)20-10-13-2-1-7-19-13/h1-9H,10H2
InChIKeyVCRQFMGWIJBFMU-UHFFFAOYSA-N
XLogP4.07
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde
CID 169333423
5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde
CID 169334200
5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde
CID 169334432
N-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]formamide
CID 168652630
5-[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]furan-2-carbaldehyde
CID 169334199
4-[4-amino-3-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)aniline
CID 22741608
5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde
CID 169332976
5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde
CID 145228205
methyl 2-[4-(5-formylfuran-2-yl)-2-methoxyphenoxy]acetate
CID 169333225
N-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine
CID 43284973
2,4-difluoro-6-(furan-2-ylmethoxy)aniline
CID 115507233
5-(3-iodo-4-methoxyphenyl)furan-2-carbaldehyde
CID 169331838

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]furan-2-carbaldehyde (CID 169334720) is 5-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccc(OCc3ccco3)c(F)c2)o1.
What is the InChIKey of 5-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]furan-2-carbaldehyde?
The InChIKey is VCRQFMGWIJBFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO4/c17-14-8-11(15-6-4-12(9-18)21-15)3-5-16(14)20-10-13-2-1-7-19-13/h1-9H,10H2.
What are the key properties of 5-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]furan-2-carbaldehyde?
5-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]furan-2-carbaldehyde has a molecular weight of 286.26 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).