5-[2-(2,2-dimethylpropoxy)-3-fluorophenyl]furan-2-carbaldehyde

C16H17FO3 — CID 169334993

IUPAC5-[2-(2,2-dimethylpropoxy)-3-fluorophenyl]furan-2-carbaldehyde
SMILESCC(C)(C)COc1c(F)cccc1-c1ccc(C=O)o1
InChIInChI=1S/C16H17FO3/c1-16(2,3)10-19-15-12(5-4-6-13(15)17)14-8-7-11(9-18)20-14/h4-9H,10H2,1-3H3
InChIKeyDZPDOHQUMDGXOL-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.32
Rot. Bonds4

About 5-[2-(2,2-dimethylpropoxy)-3-fluorophenyl]furan-2-carbaldehyde

5-[2-(2,2-dimethylpropoxy)-3-fluorophenyl]furan-2-carbaldehyde (PubChem CID 169334993) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-[2-(2,2-dimethylpropoxy)-3-fluorophenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(2,2-dimethylpropoxy)-3-fluorophenyl]furan-2-carbaldehyde
PubChem CID169334993
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name5-[2-(2,2-dimethylpropoxy)-3-fluorophenyl]furan-2-carbaldehyde
SMILESCC(C)(C)COc1c(F)cccc1-c1ccc(C=O)o1
InChIInChI=1S/C16H17FO3/c1-16(2,3)10-19-15-12(5-4-6-13(15)17)14-8-7-11(9-18)20-14/h4-9H,10H2,1-3H3
InChIKeyDZPDOHQUMDGXOL-UHFFFAOYSA-N
XLogP4.32
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.32
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-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde
CID 169331923
5-[2-fluoro-6-(3-methoxypropoxy)phenyl]furan-2-carbaldehyde
CID 169334187
5-(3-fluoro-2-piperidin-1-ylphenyl)furan-2-carbaldehyde
CID 169335017
5-(4-methylnaphthalen-1-yl)furan-2-carbaldehyde
CID 106888456
5-(3-fluoro-4-iodo-2-methoxyphenyl)furan-2-carbaldehyde
CID 169333694
5-quinazolin-5-ylfuran-2-carbaldehyde
CID 169335692
5-(3-fluoro-2-pyridinyl)furan-2-carbaldehyde
CID 75524954
5-(2-fluoro-5-methylphenyl)furan-2-carbaldehyde
CID 43155826
5-[2-bromo-3-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
CID 169334326
5-(2-butan-2-yloxyphenyl)furan-2-carbaldehyde
CID 169332268
5-[2-(3,4-difluorophenyl)phenyl]furan-2-carbaldehyde
CID 169333066
5-[3-chloro-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 22562092

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,2-dimethylpropoxy)-3-fluorophenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-(2,2-dimethylpropoxy)-3-fluorophenyl]furan-2-carbaldehyde (CID 169334993) is 5-[2-(2,2-dimethylpropoxy)-3-fluorophenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-(2,2-dimethylpropoxy)-3-fluorophenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-(2,2-dimethylpropoxy)-3-fluorophenyl]furan-2-carbaldehyde is CC(C)(C)COc1c(F)cccc1-c1ccc(C=O)o1.
What is the InChIKey of 5-[2-(2,2-dimethylpropoxy)-3-fluorophenyl]furan-2-carbaldehyde?
The InChIKey is DZPDOHQUMDGXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c1-16(2,3)10-19-15-12(5-4-6-13(15)17)14-8-7-11(9-18)20-14/h4-9H,10H2,1-3H3.
What are the key properties of 5-[2-(2,2-dimethylpropoxy)-3-fluorophenyl]furan-2-carbaldehyde?
5-[2-(2,2-dimethylpropoxy)-3-fluorophenyl]furan-2-carbaldehyde has a molecular weight of 276.31 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,2-dimethylpropoxy)-3-fluorophenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).