2,6-difluoro-4-(methoxymethyl)benzaldehyde

C9H8F2O2 — CID 119086056

IUPAC2,6-difluoro-4-(methoxymethyl)benzaldehyde
SMILESCOCc1cc(F)c(C=O)c(F)c1
InChIInChI=1S/C9H8F2O2/c1-13-5-6-2-8(10)7(4-12)9(11)3-6/h2-4H,5H2,1H3
InChIKeyYGKIXUFDMFCFCL-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.92
Rot. Bonds3

About 2,6-difluoro-4-(methoxymethyl)benzaldehyde

2,6-difluoro-4-(methoxymethyl)benzaldehyde (PubChem CID 119086056) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is 2,6-difluoro-4-(methoxymethyl)benzaldehyde.

Molecular Properties

Compound Name2,6-difluoro-4-(methoxymethyl)benzaldehyde
PubChem CID119086056
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name2,6-difluoro-4-(methoxymethyl)benzaldehyde
SMILESCOCc1cc(F)c(C=O)c(F)c1
InChIInChI=1S/C9H8F2O2/c1-13-5-6-2-8(10)7(4-12)9(11)3-6/h2-4H,5H2,1H3
InChIKeyYGKIXUFDMFCFCL-UHFFFAOYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.92
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 2,6-difluoro-4-(methoxymethyl)benzaldehyde?
The IUPAC name of 2,6-difluoro-4-(methoxymethyl)benzaldehyde (CID 119086056) is 2,6-difluoro-4-(methoxymethyl)benzaldehyde.
What is the SMILES notation for 2,6-difluoro-4-(methoxymethyl)benzaldehyde?
The canonical SMILES for 2,6-difluoro-4-(methoxymethyl)benzaldehyde is COCc1cc(F)c(C=O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-(methoxymethyl)benzaldehyde?
The InChIKey is YGKIXUFDMFCFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2/c1-13-5-6-2-8(10)7(4-12)9(11)3-6/h2-4H,5H2,1H3.
What are the key properties of 2,6-difluoro-4-(methoxymethyl)benzaldehyde?
2,6-difluoro-4-(methoxymethyl)benzaldehyde has a molecular weight of 186.16 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(methoxymethyl)benzaldehyde is sourced from PubChem (CID 119086056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).