C1=CC(=C(C(=C1OCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F)F)I
名称: 2,3-difluoro-1-iodo-4-(5,5,6,6,7,7,8,8,8-nonafluorooctoxy)benzene
SMILES: C1=CC(=C(C(=C1OCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F)F)I

Molecular Processing

Molecular formula
C14H10F11IO
Molecular weight
530.11
Exact mass
529.9601
XLogP
6.59
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
8
Heavy atoms
27
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
79.32

Supplementary Information

InChIKey: VWWQJMFLYVNODI-UHFFFAOYSA-N
同義語
2,3-Difluoro-1-iodo-4-(5,5,6,6,7,7,8,8,8-nonafluoro-octyloxy)-benzeneSCHEMBL6751378
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