3-(cyclopropylmethoxymethoxy)-5-fluorobenzaldehyde

C12H13FO3 — CID 106929635

IUPAC3-(cyclopropylmethoxymethoxy)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)cc(OCOCC2CC2)c1
InChIInChI=1S/C12H13FO3/c13-11-3-10(6-14)4-12(5-11)16-8-15-7-9-1-2-9/h3-6,9H,1-2,7-8H2
InChIKeyZIOHLKHUFJHEPX-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.40
Rot. Bonds6

About 3-(cyclopropylmethoxymethoxy)-5-fluorobenzaldehyde

3-(cyclopropylmethoxymethoxy)-5-fluorobenzaldehyde (PubChem CID 106929635) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethoxy)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethoxy)-5-fluorobenzaldehyde
PubChem CID106929635
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name3-(cyclopropylmethoxymethoxy)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)cc(OCOCC2CC2)c1
InChIInChI=1S/C12H13FO3/c13-11-3-10(6-14)4-12(5-11)16-8-15-7-9-1-2-9/h3-6,9H,1-2,7-8H2
InChIKeyZIOHLKHUFJHEPX-UHFFFAOYSA-N
XLogP2.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(cyclopropylmethoxymethoxy)-5-fluorobenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-cyclobutylethoxy)-5-fluorobenzaldehyde
CID 106202440
3,5-dibromo-4-(cyclopropylmethoxymethoxy)benzaldehyde
CID 107738292
1-(cyclobutylidenemethyl)-3-(cyclopropylmethoxy)-5-fluorobenzene
CID 142360754
4-(cyclopropylmethoxymethoxy)-3-methoxybenzaldehyde
CID 106929603
3-bromo-4-(cyclopropylmethoxymethoxy)-5-ethoxybenzaldehyde
CID 106929617
4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde
CID 131887316
3-(cyclopropylmethoxy)-5-fluoroaniline
CID 80751840
3-fluoro-5-hept-6-enoxybenzaldehyde
CID 107007342
1-chloro-4-(cyclopropylmethoxymethoxy)benzene
CID 106931199
3-fluoro-5-(2-hydroxy-2-methylbutoxy)benzaldehyde
CID 114494039
4-(3-fluoro-5-formylphenoxy)benzonitrile
CID 104881312
4-(cyclopropylmethoxy)-3-fluorobenzaldehyde
CID 20794858

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxymethoxy)-5-fluorobenzaldehyde?
The IUPAC name of 3-(cyclopropylmethoxymethoxy)-5-fluorobenzaldehyde (CID 106929635) is 3-(cyclopropylmethoxymethoxy)-5-fluorobenzaldehyde.
What is the SMILES notation for 3-(cyclopropylmethoxymethoxy)-5-fluorobenzaldehyde?
The canonical SMILES for 3-(cyclopropylmethoxymethoxy)-5-fluorobenzaldehyde is O=Cc1cc(F)cc(OCOCC2CC2)c1.
What is the InChIKey of 3-(cyclopropylmethoxymethoxy)-5-fluorobenzaldehyde?
The InChIKey is ZIOHLKHUFJHEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c13-11-3-10(6-14)4-12(5-11)16-8-15-7-9-1-2-9/h3-6,9H,1-2,7-8H2.
What are the key properties of 3-(cyclopropylmethoxymethoxy)-5-fluorobenzaldehyde?
3-(cyclopropylmethoxymethoxy)-5-fluorobenzaldehyde has a molecular weight of 224.23 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxymethoxy)-5-fluorobenzaldehyde is sourced from PubChem (CID 106929635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).