C(CCC(F)(F)F)CC(=O)CCCCl
Name: 1-chloro-9,9,9-trifluorononan-4-one
SMILES: C(CCC(F)(F)F)CC(=O)CCCCl

Molecular Processing

Molecular formula
C9H14ClF3O
Molecular weight
230.66
Exact mass
230.0685
XLogP
3.7
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
7
Heavy atoms
14
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
49.48

Supplementary Information

InChIKey: WAYZJBCEAALGFE-UHFFFAOYSA-N
Synonyms
1-chloro-9,9,9-trifluoro-4-nonanoneSCHEMBL11515313
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Involved in 7 reactions→

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