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

C10H9F3O4 — CID 53465447

IUPAC2-(methoxymethoxy)-4-(trifluoromethoxy)benzaldehyde
SMILESCOCOc1cc(OC(F)(F)F)ccc1C=O
InChIInChI=1S/C10H9F3O4/c1-15-6-16-9-4-8(17-10(11,12)13)3-2-7(9)5-14/h2-5H,6H2,1H3
InChIKeyLKDYXZUTEWWLFB-UHFFFAOYSA-N
MW250.17 g/mol
LogP2.38
Rot. Bonds5

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

2-(methoxymethoxy)-4-(trifluoromethoxy)benzaldehyde (PubChem CID 53465447) has the molecular formula C10H9F3O4 and a molecular weight of 250.17 g/mol. Its IUPAC name is 2-(methoxymethoxy)-4-(trifluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name2-(methoxymethoxy)-4-(trifluoromethoxy)benzaldehyde
PubChem CID53465447
Molecular FormulaC10H9F3O4
Molecular Weight250.17 g/mol
Exact Mass250.05
IUPAC Name2-(methoxymethoxy)-4-(trifluoromethoxy)benzaldehyde
SMILESCOCOc1cc(OC(F)(F)F)ccc1C=O
InChIInChI=1S/C10H9F3O4/c1-15-6-16-9-4-8(17-10(11,12)13)3-2-7(9)5-14/h2-5H,6H2,1H3
InChIKeyLKDYXZUTEWWLFB-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

4-(methoxymethoxy)-2-(trifluoromethoxy)benzaldehyde
CID 164896154
4-[2-(methoxymethoxy)phenyl]-2-(trifluoromethoxy)benzaldehyde
CID 172649770
2-(ethoxymethoxy)-4-methoxybenzaldehyde
CID 65369635
2-(bromomethyl)-4-(trifluoromethoxy)benzaldehyde
CID 170997735
2-(hydroxymethoxy)-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzaldehyde
CID 143982687
2-bromo-4-(methoxymethoxy)benzaldehyde
CID 24829119
2-fluoro-3-formyl-6-[[2-methoxy-4-(trifluoromethoxy)phenoxy]methyl]benzoic acid
CID 175010302
tert-butyl 10-[2-formyl-5-(methoxymethoxy)phenoxy]decanoate
CID 171476426
4-(methoxymethoxy)-2-(4-nitrophenoxy)benzaldehyde
CID 174758219
6,10,19-tris(methoxymethoxy)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarbaldehyde
CID 102346348
deuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene
CID 160741711
2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984228

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)-4-(trifluoromethoxy)benzaldehyde?
The IUPAC name of 2-(methoxymethoxy)-4-(trifluoromethoxy)benzaldehyde (CID 53465447) is 2-(methoxymethoxy)-4-(trifluoromethoxy)benzaldehyde.
What is the SMILES notation for 2-(methoxymethoxy)-4-(trifluoromethoxy)benzaldehyde?
The canonical SMILES for 2-(methoxymethoxy)-4-(trifluoromethoxy)benzaldehyde is COCOc1cc(OC(F)(F)F)ccc1C=O.
What is the InChIKey of 2-(methoxymethoxy)-4-(trifluoromethoxy)benzaldehyde?
The InChIKey is LKDYXZUTEWWLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O4/c1-15-6-16-9-4-8(17-10(11,12)13)3-2-7(9)5-14/h2-5H,6H2,1H3.
What are the key properties of 2-(methoxymethoxy)-4-(trifluoromethoxy)benzaldehyde?
2-(methoxymethoxy)-4-(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 2-(methoxymethoxy)-4-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 53465447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).