2-(ethoxymethoxy)-4-(trifluoromethyl)benzaldehyde

C11H11F3O3 — CID 86680838

IUPAC2-(ethoxymethoxy)-4-(trifluoromethyl)benzaldehyde
SMILESCCOCOc1cc(C(F)(F)F)ccc1C=O
InChIInChI=1S/C11H11F3O3/c1-2-16-7-17-10-5-9(11(12,13)14)4-3-8(10)6-15/h3-6H,2,7H2,1H3
InChIKeyJNXKYPKVRNLBMZ-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.89
Rot. Bonds5

About 2-(ethoxymethoxy)-4-(trifluoromethyl)benzaldehyde

2-(ethoxymethoxy)-4-(trifluoromethyl)benzaldehyde (PubChem CID 86680838) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-(ethoxymethoxy)-4-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-(ethoxymethoxy)-4-(trifluoromethyl)benzaldehyde
PubChem CID86680838
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name2-(ethoxymethoxy)-4-(trifluoromethyl)benzaldehyde
SMILESCCOCOc1cc(C(F)(F)F)ccc1C=O
InChIInChI=1S/C11H11F3O3/c1-2-16-7-17-10-5-9(11(12,13)14)4-3-8(10)6-15/h3-6H,2,7H2,1H3
InChIKeyJNXKYPKVRNLBMZ-UHFFFAOYSA-N
XLogP2.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.89
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'}

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Related Compounds

2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde
CID 163641356
2-(ethoxymethoxy)-4-methoxybenzaldehyde
CID 65369635
[2-formyl-5-(trifluoromethyl)phenoxy]methyl propan-2-yl carbonate
CID 87274173
2-(4-ethylphenoxy)-4-(trifluoromethyl)benzaldehyde
CID 166001241
2-methyl-4-(trifluoromethyl)benzaldehyde
CID 23340632
2-(2-ethoxyphenoxy)-5-(trifluoromethyl)benzaldehyde
CID 155416967
4-(trifluoromethyl)phthalaldehyde
CID 23496648
2-butoxy-N-methoxy-N-methyl-4-(trifluoromethyl)benzamide;2-butoxy-4-(trifluoromethyl)benzaldehyde
CID 160601755
2-ethoxy-1-iodo-4-(trifluoromethyl)benzene
CID 164892007
2-[2-formyl-5-(trifluoromethyl)phenoxy]-2,4,4-trimethylpentanoic acid
CID 162346961
ethyl 2,2-difluoro-2-(4-formyl-3-methoxyphenyl)acetate
CID 162397982
4-(ethoxymethoxy)-3-fluorobenzaldehyde
CID 107689657

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethoxy)-4-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-(ethoxymethoxy)-4-(trifluoromethyl)benzaldehyde (CID 86680838) is 2-(ethoxymethoxy)-4-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-(ethoxymethoxy)-4-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-(ethoxymethoxy)-4-(trifluoromethyl)benzaldehyde is CCOCOc1cc(C(F)(F)F)ccc1C=O.
What is the InChIKey of 2-(ethoxymethoxy)-4-(trifluoromethyl)benzaldehyde?
The InChIKey is JNXKYPKVRNLBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-2-16-7-17-10-5-9(11(12,13)14)4-3-8(10)6-15/h3-6H,2,7H2,1H3.
What are the key properties of 2-(ethoxymethoxy)-4-(trifluoromethyl)benzaldehyde?
2-(ethoxymethoxy)-4-(trifluoromethyl)benzaldehyde has a molecular weight of 248.20 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethoxy)-4-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 86680838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).