CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C(F)(F)F
CAS: 201929-84-2
Nombre: ethyl 5-(trifluoromethyl)-1H-indole-2-carboxylate
SMILES: CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C(F)(F)F

Molecular Processing

Molecular formula
C12H10F3NO2
Molecular weight
257.21
Exact mass
257.0664
XLogP
3.36
TPSA
42.09
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
59.26

Supplementary Information

InChIKey: XFZOLYIGTWILKO-UHFFFAOYSA-N
Sinónimos
201929-84-2ethyl 5-(trifluoromethyl)-1H-indole-2-carboxylateDTXSID50589597RefChem:344202DTXCID10540361Ethyl 5-(trifluoromethyl)indole-2-carboxylate5-(Trifluoromethyl)indole-2-carboxylic acid ethyl esterMFCD077811965-Trifluoromethyl-1H-indole-2-carboxylic acid ethyl esterEthyl5-(trifluoromethyl)indole-2-carboxylateethyl 5-trifluoromethyl-1H-indole-2-carboxylateSCHEMBL926927SCHEMBL30719997LH0052STK894389AKOS005144212SB15233NCGC00336916-01AC-26208AS-33208SY241629CS-0037973EN300-392793T67201AB01329991-02F2373845-Trifluoromethyl-1H-indole-2-carboxylic acidethyl ester20199-84-2
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