Chemical ID: 6920039

c1cc(ccc1NC(=O)CC#N)OC(F)(F)F
Chemical ID:
6920039
Name [?]:
3-nitrido-N-[4-(trifluoromethoxy)phenyl]-propanamide
SMILES [?]:
c1cc(ccc1NC(=O)CC#N)OC(F)(F)F
InChi [?]:
InChI=1/C10H7F3N2O2/c11-10(12,13)17-8-3-1-7(2-4-8)15-9(16)5-6-14/h1-4H,5H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,10,11,6,3,8,14,15,16,17,12,7,9,13/E:(1,2)(3,4)(11,12,13)/rA:17nCCCCCCNCOCCNOCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;t11;s3;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7F3N2O2
All Atoms:24
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.20156
Area:392.831
Solvation:-3.61922
Coulombic:-52.7534
Bond Count [?]
All:17
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:244.17
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.76
LogP (Chemaxon):2.22

Name Annotations

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Descriptor Annotations

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