3-ethyl-2-(trifluoromethoxy)benzaldehyde

C10H9F3O2 — CID 170999043

IUPAC3-ethyl-2-(trifluoromethoxy)benzaldehyde
SMILESCCc1cccc(C=O)c1OC(F)(F)F
InChIInChI=1S/C10H9F3O2/c1-2-7-4-3-5-8(6-14)9(7)15-10(11,12)13/h3-6H,2H2,1H3
InChIKeyALTVLRBPVUEJDJ-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.96
Rot. Bonds3

About 3-ethyl-2-(trifluoromethoxy)benzaldehyde

3-ethyl-2-(trifluoromethoxy)benzaldehyde (PubChem CID 170999043) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 3-ethyl-2-(trifluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name3-ethyl-2-(trifluoromethoxy)benzaldehyde
PubChem CID170999043
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name3-ethyl-2-(trifluoromethoxy)benzaldehyde
SMILESCCc1cccc(C=O)c1OC(F)(F)F
InChIInChI=1S/C10H9F3O2/c1-2-7-4-3-5-8(6-14)9(7)15-10(11,12)13/h3-6H,2H2,1H3
InChIKeyALTVLRBPVUEJDJ-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-formyl-2-(trifluoromethoxy)phenyl]acetate
CID 170998201
[3-ethyl-2-(trifluoromethoxy)phenyl]methanol
CID 118269102
[3-ethyl-2-(trifluoromethoxy)phenyl]methanamine
CID 170998610
(2-ethyl-6-formylphenyl) acetate
CID 156902957
methyl 2-[3-ethyl-2-(trifluoromethoxy)phenyl]acetate
CID 170999184
2-fluoro-3-(trifluoromethoxy)terephthalaldehyde
CID 171010447
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
ethyl 2-[2-formyl-6-(trifluoromethoxy)phenyl]acetate
CID 170998210
2-methyl-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 130093349
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
2-amino-3-(trifluoromethoxy)benzaldehyde
CID 22649681
ethyl 2-[3-sulfanyl-2-(trifluoromethoxy)phenyl]acetate
CID 170999403

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(trifluoromethoxy)benzaldehyde?
The IUPAC name of 3-ethyl-2-(trifluoromethoxy)benzaldehyde (CID 170999043) is 3-ethyl-2-(trifluoromethoxy)benzaldehyde.
What is the SMILES notation for 3-ethyl-2-(trifluoromethoxy)benzaldehyde?
The canonical SMILES for 3-ethyl-2-(trifluoromethoxy)benzaldehyde is CCc1cccc(C=O)c1OC(F)(F)F.
What is the InChIKey of 3-ethyl-2-(trifluoromethoxy)benzaldehyde?
The InChIKey is ALTVLRBPVUEJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-2-7-4-3-5-8(6-14)9(7)15-10(11,12)13/h3-6H,2H2,1H3.
What are the key properties of 3-ethyl-2-(trifluoromethoxy)benzaldehyde?
3-ethyl-2-(trifluoromethoxy)benzaldehyde has a molecular weight of 218.17 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 170999043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).