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Chemical ID: 7088362
Chemical ID:
7088362
Name [?]:
1-(4-chlorophenyl)-2,2,3,3,3-pentafluoro-propan-1-one
SMILES [?]:
c1cc(ccc1C(=O)C(C(F)(F)F)(F)F)Cl
InChi [?]:
InChI=1/C9H4ClF5O/c10-6-3-1-5(2-4-6)7(16)8(11,12)9(13,14)15/h1-4H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,6,3,7,9,10,16,14,15,11,12,13,8/E:(1,2)(3,4)(11,12)(13,14,15)/rA:16nCCCCCCCOCCFFFFFCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s10;s10;s9;s9;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H4ClF5O |
All Atoms: | 20 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.89628 |
Area: | 363.505 |
Solvation: | -2.19135 |
Coulombic: | -41.0369 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 258.572 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.06 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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