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Chemical ID: 6395610
Chemical ID:
6395610
Name [?]:
2,2,2-trifluoro-N-(2-furylmethyl)acetamide
SMILES [?]:
c1cc(oc1)CNC(=O)C(F)(F)F
InChi [?]:
InChI=1/C7H6F3NO2/c8-7(9,10)6(12)11-4-5-2-1-3-13-5/h1-3H,4H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,8,10,11,12,13,7,9,4/E:(8,9,10)/rA:13nCCCOCCNCOCFFF/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;s10;s10;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H6F3NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.37012 |
Area: | 330.345 |
Solvation: | -2.8885 |
Coulombic: | -49.4922 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 193.123 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.82 |
LogP (Chemaxon): | 1.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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