Chemical ID: 4770977

CC(=NOC(=O)Nc1ccc(cc1)C(F)(F)F)C
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

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Descriptor Annotations

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