Chemical ID: 4114935

c1cc(c(cc1C=O)F)C(F)(F)F
Chemical ID:
4114935
Name [?]:
3-fluoro-4-(trifluoromethyl)benzaldehyde
SMILES [?]:
c1cc(c(cc1C=O)F)C(F)(F)F
InChi [?]:
InChI=1/C8H4F4O/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-4H
InChi Info:
AuxInfo=1/0/N:1,2,5,7,6,3,4,10,9,11,12,13,8/E:(10,11,12)/rA:13nCCCCCCCOFCFFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s4;s3;s10;s10;s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H4F4O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:3.75975
Area:306.799
Solvation:-3.91022
Coulombic:-28.0588
Bond Count [?]
All:13
Single:9
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:192.11
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.8
LogP (Chemaxon):2.74

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue