Chemical ID: 4117021

c1c(cc(cc1F)F)N
Chemical ID:
4117021
Name [?]:
3,5-difluoroaniline
SMILES [?]:
c1c(cc(cc1F)F)N
InChi [?]:
InChI=1/C6H5F2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
InChi Info:
AuxInfo=1/0/N:5,1,3,6,4,2,7,8,9/E:(2,3)(4,5)(7,8)/rA:9nCCCCCCFFN/rB:s1;d2;s3;d4;d1s5;s6;s4;s2;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H5F2N
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:4.03289
Area:251.768
Solvation:-2.26131
Coulombic:-23.1617
Bond Count [?]
All:9
Single:6
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:129.107
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:1.53
LogP (Chemaxon):1.54

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