C1=C(NC(=N1)C=O)C(F)(F)F
CAS: 102808-02-6
Name: 5-(trifluoromethyl)-1H-imidazole-2-carbaldehyde
SMILES: C1=C(NC(=N1)C=O)C(F)(F)F

Molecular Processing

Molecular formula
C5H3F3N2O
Molecular weight
164.09
Exact mass
164.0197
XLogP
1.24
TPSA
45.75
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
28.98

Supplementary Information

InChIKey: FYKPCRCNMFOTHP-UHFFFAOYSA-N
Synonyme
102808-02-65-(TRIFLUOROMETHYL)-1H-IMIDAZOLE-2-CARBALDEHYDE4-(Trifluoromethyl)-1H-imidazole-2-carbaldehydeMFCD106967375-(TRIFLUOROMETHYL)-1H-IMIDAZOLE-2-CARBOXALDEHYDESCHEMBL2826172SCHEMBL17351370DTXSID601232802CEA80802MFCD10697818AKOS006305318AKOS024197482AB58043AS-39603SY1240115-(Trifluoromethyl)imidazole-2-carbaldehydeDB-413271CS-0044861EN300-179106-5(Trifluoromethyl)-1H-Imidazole-2-CarbaldehydeF469053F2147-3288Z1198276807
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