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

C14H13FO4 — CID 169334200

IUPAC5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde
SMILESCOCCOc1ccc(-c2ccc(C=O)o2)cc1F
InChIInChI=1S/C14H13FO4/c1-17-6-7-18-14-4-2-10(8-12(14)15)13-5-3-11(9-16)19-13/h2-5,8-9H,6-7H2,1H3
InChIKeyKWJBZIGIKCTJRA-UHFFFAOYSA-N
MW264.25 g/mol
LogP2.92
Rot. Bonds6

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

5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde (PubChem CID 169334200) has the molecular formula C14H13FO4 and a molecular weight of 264.25 g/mol. Its IUPAC name is 5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde
PubChem CID169334200
Molecular FormulaC14H13FO4
Molecular Weight264.25 g/mol
Exact Mass264.08
IUPAC Name5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde
SMILESCOCCOc1ccc(-c2ccc(C=O)o2)cc1F
InChIInChI=1S/C14H13FO4/c1-17-6-7-18-14-4-2-10(8-12(14)15)13-5-3-11(9-16)19-13/h2-5,8-9H,6-7H2,1H3
InChIKeyKWJBZIGIKCTJRA-UHFFFAOYSA-N
XLogP2.92
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde
CID 169333423
5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde
CID 169334432
5-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]furan-2-carbaldehyde
CID 169334720
5-[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]furan-2-carbaldehyde
CID 169334199
methyl 2-[4-(5-formylfuran-2-yl)-2-methoxyphenoxy]acetate
CID 169333225
5-[2-fluoro-6-(3-methoxypropoxy)phenyl]furan-2-carbaldehyde
CID 169334187
[4-[3,4-bis(2-methoxyethoxy)phenyl]-2-fluorophenyl] formate
CID 146330939
5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde
CID 169335432
2-fluoro-5-(5-formylfuran-2-yl)-N-methylbenzamide
CID 169332851
5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde
CID 169332976
5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde
CID 145228205
3-fluoro-4-(2-methoxyethoxy)benzoic acid
CID 28604965

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde (CID 169334200) is 5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde is COCCOc1ccc(-c2ccc(C=O)o2)cc1F.
What is the InChIKey of 5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde?
The InChIKey is KWJBZIGIKCTJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO4/c1-17-6-7-18-14-4-2-10(8-12(14)15)13-5-3-11(9-16)19-13/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde?
5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde has a molecular weight of 264.25 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).