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Chemical ID: 4515260
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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