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Chemical ID: 4976948
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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