1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbaldehyde

C7H7F3N2O2 — CID 106716795

IUPAC1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbaldehyde
SMILESO=Cc1cn(CCOC(F)(F)F)cn1
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)14-2-1-12-3-6(4-13)11-5-12/h3-5H,1-2H2
InChIKeyOOLRYYOPMMFSGI-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.23
Rot. Bonds4

About 1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbaldehyde

1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbaldehyde (PubChem CID 106716795) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbaldehyde
PubChem CID106716795
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbaldehyde
SMILESO=Cc1cn(CCOC(F)(F)F)cn1
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)14-2-1-12-3-6(4-13)11-5-12/h3-5H,1-2H2
InChIKeyOOLRYYOPMMFSGI-UHFFFAOYSA-N
XLogP1.23
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1H-imidazole-5-carbaldehyde
CID 573592
1-Methyl-2-nitro-1H-imidazole-5-carboxaldehyde
CID 100390
1,2-dimethyl-1H-imidazole-5-carbaldehyde
CID 3159610
1-Methyl-1H-imidazole-4-carbaldehyde
CID 573419
1-Methyl-2-(propan-2-yl)-1H-imidazole-5-carbaldehyde
CID 17956783
1-propyl-1H-imidazole-5-carbaldehyde
CID 10240870
4-Formyl-N,N-dimethyl-1H-imidazole-1-sulfonamide
CID 10397966
1-ethyl-1H-imidazole-5-carbaldehyde
CID 3159672
2-bromo-1-methyl-1H-imidazole-5-carbaldehyde
CID 12742277
1-Ethyl-1H-imidazole-4-carbaldehyde
CID 13509872
1-(propan-2-yl)-1H-imidazole-4-carbaldehyde
CID 15339512
2-(dimethylamino)-1-methyl-1H-imidazole-5-carbaldehyde
CID 21097280

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbaldehyde?
The IUPAC name of 1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbaldehyde (CID 106716795) is 1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbaldehyde.
What is the SMILES notation for 1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbaldehyde?
The canonical SMILES for 1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbaldehyde is O=Cc1cn(CCOC(F)(F)F)cn1.
What is the InChIKey of 1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbaldehyde?
The InChIKey is OOLRYYOPMMFSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c8-7(9,10)14-2-1-12-3-6(4-13)11-5-12/h3-5H,1-2H2.
What are the key properties of 1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbaldehyde?
1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbaldehyde has a molecular weight of 208.14 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)ethyl]imidazole-4-carbaldehyde is sourced from PubChem (CID 106716795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).