Chemical ID: 5567281

CC(=CC(=O)C)Nc1ccc(cc1)C(F)(F)F
Chemical ID:
5567281
Name [?]:
4-[4-(trifluoromethyl)phenyl]aminopent-3-en-2-one
SMILES [?]:
CC(=CC(=O)C)Nc1ccc(cc1)C(F)(F)F
InChi [?]:
InChI=1/C12H12F3NO/c1-8(7-9(2)17)16-11-5-3-10(4-6-11)12(13,14)15/h3-7,16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,10,12,9,13,3,2,4,11,8,14,15,16,17,7,5/E:(3,4)(5,6)(13,14,15)/rA:17nCCCCOCNCCCCCCCFFF/rB:s1;w2;s3;d4;s4;s2;s7;s8;d9;s10;d11;d8s12;s11;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12F3NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.23214
Area:399.899
Solvation:-2.76534
Coulombic:-36.8404
Bond Count [?]
All:17
Single:12
Double:5
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:243.225
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.31
LogP (Chemaxon):2.66

Name Annotations

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Descriptor Annotations

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