Chemical ID: 4117346

c1cc(ccc1C(=O)Cl)C(F)(F)F
Chemical ID:
4117346
Name [?]:
4-(trifluoromethyl)benzoyl chloride
SMILES [?]:
c1cc(ccc1C(=O)Cl)C(F)(F)F
InChi [?]:
InChI=1/C8H4ClF3O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,6,3,7,10,9,11,12,13,8/E:(1,2)(3,4)(10,11,12)/rA:13nCCCCCCCOClCFFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;s10;s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H4ClF3O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.38907
Area:334.009
Solvation:-1.96115
Coulombic:-29.8393
Bond Count [?]
All:13
Single:9
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:208.565
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.18
LogP (Chemaxon):2.92

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Descriptor Annotations

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