Chemical ID: 7088362

c1cc(ccc1C(=O)C(C(F)(F)F)(F)F)Cl
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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