Chemical ID: 4116448

CC(=O)c1c(cccc1F)F
Chemical ID:
4116448
Name [?]:
1-(2,6-difluorophenyl)ethanone
SMILES [?]:
CC(=O)c1c(cccc1F)F
InChi [?]:
InChI=1/C8H6F2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,2,5,9,4,11,10,3/E:(3,4)(6,7)(9,10)/rA:11nCCOCCCCCCFF/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s5;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6F2O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:3.55531
Area:282.949
Solvation:-3.5184
Coulombic:-13.7031
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:156.129
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.18
LogP (Chemaxon):1.63

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