Chemical ID: 4515260

c1cc(cc(c1)N2CCCC2=O)C(F)(F)F
Chemical ID:
4515260
Name [?]:
1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILES [?]:
c1cc(cc(c1)N2CCCC2=O)C(F)(F)F
InChi [?]:
InChI=1/C11H10F3NO/c12-11(13,14)8-3-1-4-9(7-8)15-6-2-5-10(15)16/h1,3-4,7H,2,5-6H2
InChi Info:
AuxInfo=1/0/N:1,9,2,6,10,8,4,3,5,11,13,14,15,16,7,12/E:(12,13,14)/rA:16nCCCCCCNCCCCOCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s7s10;d11;s3;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10F3NO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.5049
Area:362.44
Solvation:-2.55611
Coulombic:-34.0921
Bond Count [?]
All:17
Single:13
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:229.198
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.32
LogP (Chemaxon):2.17

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Descriptor Annotations

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