C1CCOC(C1)OCC2=C(C(=C(C(=C2F)F)CC=CCl)F)F
Name: 2-[[4-(3-chloroprop-2-enyl)-2,3,5,6-tetrafluorophenyl]methoxy]oxane
SMILES: C1CCOC(C1)OCC2=C(C(=C(C(=C2F)F)CC=CCl)F)F

Molecular Processing

Molecular formula
C15H15ClF4O2
Molecular weight
338.73
Exact mass
338.0697
XLogP
4.58
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
73.35

Supplementary Information

InChIKey: KSXOGFJKBLJOPO-UHFFFAOYSA-N
Synonyme
SCHEMBL9785414KSXOGFJKBLJOPO-UHFFFAOYSA-N2-[4-(3-chloroprop-2-en-1-yl)-2,3,5,6-tetrafluorobenzyloxy]-tetrahydropyran
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