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Chemical ID: 4770977
Chemical ID:
4770977
Name [?]:
isopropylideneamino [4-(trifluoromethyl)phenyl]aminoformate
SMILES [?]:
CC(=NOC(=O)Nc1ccc(cc1)C(F)(F)F)C
InChi [?]:
InChI=1/C11H11F3N2O2/c1-7(2)16-18-10(17)15-9-5-3-8(4-6-9)11(12,13)14/h3-6H,1-2H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,18,10,12,9,13,2,11,8,5,14,15,16,17,7,3,6,4/E:(1,2)(3,4)(5,6)(12,13,14)/rA:18nCCNOCONCCCCCCCFFFC/rB:s1;d2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;s14;s14;s14;s2;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11F3N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.19974 |
Area: | 425.873 |
Solvation: | -2.44709 |
Coulombic: | -48.2785 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 260.213 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.02 |
LogP (Chemaxon): | 3.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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