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Chemical ID: 4776079
Chemical ID:
4776079
Name [?]:
1-(3,4-difluorophenyl)pyrrole-2,5-dione
SMILES [?]:
c1cc(c(cc1N2C(=O)C=CC2=O)F)F
InChi [?]:
InChI=1/C10H5F2NO2/c11-7-2-1-6(5-8(7)12)13-9(14)3-4-10(13)15/h1-5H
InChi Info:
AuxInfo=1/0/N:1,2,10,11,5,6,3,4,8,12,15,14,7,9,13/E:(3,4)(9,10)(14,15)/rA:15nCCCCCCNCOCCCOFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;d10;s7s11;d12;s4;s3;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H5F2NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.61162 |
Area: | 338.048 |
Solvation: | -3.83958 |
Coulombic: | -31.8706 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 209.149 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.35 |
LogP (Chemaxon): | 1.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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