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Chemical ID: 6300070
Chemical ID:
6300070
Name [?]:
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-morpholino-acetamide
SMILES [?]:
c1c(nn(c1C(F)F)CC(=O)NN2CCOCC2)C(F)F
InChi [?]:
InChI=1/C11H14F4N4O2/c12-10(13)7-5-8(11(14)15)19(16-7)6-9(20)17-18-1-3-21-4-2-18/h5,10-11H,1-4,6H2,(H,17,20)
InChi Info:
AuxInfo=1/1/N:14,18,15,17,1,9,2,5,10,19,6,20,21,7,8,3,12,13,4,11,16/E:(1,2)(3,4)(12,13)(14,15)/rA:21nCCNNCCFFCCONNCCOCCCFF/rB:s1;d2;s3;d1s4;s5;s6;s6;s4;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s2;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14F4N4O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.34737 |
Area: | 462.2 |
Solvation: | -8.20763 |
Coulombic: | -49.6419 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 310.248 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.28 |
LogP (Chemaxon): | -0.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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