CCCCCCC(C(F)(F)F)OC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2
CAS: 121170-46-5
Name: [(2R)-1,1,1-trifluorooctan-2-yl] 4-phenylmethoxybenzoate
SMILES: CCCCCCC(C(F)(F)F)OC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2

Molecular Processing

Molecular formula
C22H25F3O3
Molecular weight
394.43
Exact mass
394.1756
XLogP
6.32
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
10
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
101.23

Supplementary Information

InChIKey: KKAZXWLDBFAZSV-HXUWFJFHSA-N
Synonyme
(R)-(+)-1,1,1-trifluoro-2-octyl 4-benzyloxybenzoateSCHEMBL6002070DTXSID201199296121170-46-5[R]-1-trifluoromethylheptyl 4-benzyloxybenzoate(2R)-1,1,1-Trifluorooctan-2-yl 4-(benzyloxy)benzoate(1R)-1-(Trifluoromethyl)heptyl 4-(phenylmethoxy)benzoate(R)-(+)-4-benzyloxybenzoic acid 1-trifluoromethylheptyl ester
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