Chemical ID: 6927395

COCCOC(=O)C(=Cc1ccc(cc1F)F)C#N
Chemical ID:
6927395
Name [?]:
2-methoxyethyl 2-cyano-3-(2,4-difluorophenyl)-prop-2-enoate
SMILES [?]:
COCCOC(=O)C(=Cc1ccc(cc1F)F)C#N
InChi [?]:
InChI=1/C13H11F2NO3/c1-18-4-5-19-13(17)10(8-16)6-9-2-3-11(14)7-12(9)15/h2-3,6-7H,4-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,3,4,9,14,18,10,8,13,15,6,17,16,19,7,2,5/rA:19nCOCCOCOCCCCCCCCFFCN/rB:s1;s2;s3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s15;s13;s8;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11F2NO3
All Atoms:30
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:5.6918
Area:451.093
Solvation:-5.58554
Coulombic:-36.9453
Bond Count [?]
All:19
Single:13
Double:5
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:267.228
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.58
LogP (Chemaxon):2.15

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