Chemical ID: 4976948

c1cc(n(c1)c2ccc(cc2F)F)C=O
Chemical ID:
4976948
Name [?]:
1-(2,4-difluorophenyl)pyrrole-2-carbaldehyde
SMILES [?]:
c1cc(n(c1)c2ccc(cc2F)F)C=O
InChi [?]:
InChI=1/C11H7F2NO/c12-8-3-4-11(10(13)6-8)14-5-1-2-9(14)7-15/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,8,7,5,10,14,9,3,11,6,13,12,4,15/rA:15nCCCNCCCCCCCFFCO/rB:s1;d2;s3;d1s4;s4;s6;d7;s8;d9;d6s10;s11;s9;s3;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H7F2NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:4.94795
Area:351.6
Solvation:-3.84205
Coulombic:-20.3023
Bond Count [?]
All:16
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:207.176
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.72
LogP (Chemaxon):2.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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