Chemical ID: 4776079

c1cc(c(cc1N2C(=O)C=CC2=O)F)F
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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