4-(methoxymethoxy)-2-(trifluoromethoxy)benzaldehyde

C10H9F3O4 — CID 164896154

IUPAC4-(methoxymethoxy)-2-(trifluoromethoxy)benzaldehyde
SMILESCOCOc1ccc(C=O)c(OC(F)(F)F)c1
InChIInChI=1S/C10H9F3O4/c1-15-6-16-8-3-2-7(5-14)9(4-8)17-10(11,12)13/h2-5H,6H2,1H3
InChIKeyCILMTRFLUQVQKH-UHFFFAOYSA-N
MW250.17 g/mol
LogP2.38
Rot. Bonds5

About 4-(methoxymethoxy)-2-(trifluoromethoxy)benzaldehyde

4-(methoxymethoxy)-2-(trifluoromethoxy)benzaldehyde (PubChem CID 164896154) has the molecular formula C10H9F3O4 and a molecular weight of 250.17 g/mol. Its IUPAC name is 4-(methoxymethoxy)-2-(trifluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name4-(methoxymethoxy)-2-(trifluoromethoxy)benzaldehyde
PubChem CID164896154
Molecular FormulaC10H9F3O4
Molecular Weight250.17 g/mol
Exact Mass250.05
IUPAC Name4-(methoxymethoxy)-2-(trifluoromethoxy)benzaldehyde
SMILESCOCOc1ccc(C=O)c(OC(F)(F)F)c1
InChIInChI=1S/C10H9F3O4/c1-15-6-16-8-3-2-7(5-14)9(4-8)17-10(11,12)13/h2-5H,6H2,1H3
InChIKeyCILMTRFLUQVQKH-UHFFFAOYSA-N
XLogP2.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxymethoxy)-4-(trifluoromethoxy)benzaldehyde
CID 53465447
4-[2-(methoxymethoxy)phenyl]-2-(trifluoromethoxy)benzaldehyde
CID 172649770
2-bromo-4-(methoxymethoxy)benzaldehyde
CID 24829119
4-(methoxymethoxy)-2-(4-nitrophenoxy)benzaldehyde
CID 174758219
2-(trifluoromethoxy)terephthalaldehyde
CID 170999220
tert-butyl 10-[2-formyl-5-(methoxymethoxy)phenoxy]decanoate
CID 171476426
4-methoxy-2-(triaminomethoxy)benzaldehyde
CID 89196601
deuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene
CID 160741711
4-methoxy-2-(2-methylbut-3-en-2-yloxy)benzaldehyde
CID 134843951
2-(ethoxymethoxy)-4-methoxybenzaldehyde
CID 65369635
4-propoxy-2-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde
CID 116616036
2-(hydroxymethoxy)-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzaldehyde
CID 143982687

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-2-(trifluoromethoxy)benzaldehyde?
The IUPAC name of 4-(methoxymethoxy)-2-(trifluoromethoxy)benzaldehyde (CID 164896154) is 4-(methoxymethoxy)-2-(trifluoromethoxy)benzaldehyde.
What is the SMILES notation for 4-(methoxymethoxy)-2-(trifluoromethoxy)benzaldehyde?
The canonical SMILES for 4-(methoxymethoxy)-2-(trifluoromethoxy)benzaldehyde is COCOc1ccc(C=O)c(OC(F)(F)F)c1.
What is the InChIKey of 4-(methoxymethoxy)-2-(trifluoromethoxy)benzaldehyde?
The InChIKey is CILMTRFLUQVQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O4/c1-15-6-16-8-3-2-7(5-14)9(4-8)17-10(11,12)13/h2-5H,6H2,1H3.
What are the key properties of 4-(methoxymethoxy)-2-(trifluoromethoxy)benzaldehyde?
4-(methoxymethoxy)-2-(trifluoromethoxy)benzaldehyde has a molecular weight of 250.17 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-2-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 164896154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).