2-(cyclopropylmethoxymethyl)-4-fluorobenzaldehyde

C12H13FO2 — CID 91658184

IUPAC2-(cyclopropylmethoxymethyl)-4-fluorobenzaldehyde
SMILESO=Cc1ccc(F)cc1COCC1CC1
InChIInChI=1S/C12H13FO2/c13-12-4-3-10(6-14)11(5-12)8-15-7-9-1-2-9/h3-6,9H,1-2,7-8H2
InChIKeyIWDBHNIPLLWWPE-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.56
Rot. Bonds5

About 2-(cyclopropylmethoxymethyl)-4-fluorobenzaldehyde

2-(cyclopropylmethoxymethyl)-4-fluorobenzaldehyde (PubChem CID 91658184) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-(cyclopropylmethoxymethyl)-4-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(cyclopropylmethoxymethyl)-4-fluorobenzaldehyde
PubChem CID91658184
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name2-(cyclopropylmethoxymethyl)-4-fluorobenzaldehyde
SMILESO=Cc1ccc(F)cc1COCC1CC1
InChIInChI=1S/C12H13FO2/c13-12-4-3-10(6-14)11(5-12)8-15-7-9-1-2-9/h3-6,9H,1-2,7-8H2
InChIKeyIWDBHNIPLLWWPE-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxymethyl)-4-fluorobenzaldehyde?
The IUPAC name of 2-(cyclopropylmethoxymethyl)-4-fluorobenzaldehyde (CID 91658184) is 2-(cyclopropylmethoxymethyl)-4-fluorobenzaldehyde.
What is the SMILES notation for 2-(cyclopropylmethoxymethyl)-4-fluorobenzaldehyde?
The canonical SMILES for 2-(cyclopropylmethoxymethyl)-4-fluorobenzaldehyde is O=Cc1ccc(F)cc1COCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxymethyl)-4-fluorobenzaldehyde?
The InChIKey is IWDBHNIPLLWWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c13-12-4-3-10(6-14)11(5-12)8-15-7-9-1-2-9/h3-6,9H,1-2,7-8H2.
What are the key properties of 2-(cyclopropylmethoxymethyl)-4-fluorobenzaldehyde?
2-(cyclopropylmethoxymethyl)-4-fluorobenzaldehyde has a molecular weight of 208.23 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxymethyl)-4-fluorobenzaldehyde is sourced from PubChem (CID 91658184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).