Chemical ID: 4745186

CN(C)c1c(cc(cc1F)C#N)F
Chemical ID:
4745186
Name [?]:
4-dimethylamino-3,5-difluoro-benzonitrile
SMILES [?]:
CN(C)c1c(cc(cc1F)C#N)F
InChi [?]:
InChI=1/C9H8F2N2/c1-13(2)9-7(10)3-6(5-12)4-8(9)11/h3-4H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,6,8,11,7,5,9,4,13,10,12,2/E:(1,2)(3,4)(7,8)(10,11)/rA:13nCNCCCCCCCFCNF/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s7;t11;s5;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8F2N2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:4.93586
Area:329.677
Solvation:-3.30607
Coulombic:-16.4049
Bond Count [?]
All:13
Single:9
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:182.17
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.28
LogP (Chemaxon):2.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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