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Chemical ID: 4253539
Chemical ID:
4253539
Name [?]:
2-[4-(trifluoromethyl)phenyl]pyrrolidine
SMILES [?]:
c1cc(ccc1C2CCCN2)C(F)(F)F
InChi [?]:
InChI=1/C11H12F3N/c12-11(13,14)9-5-3-8(4-6-9)10-2-1-7-15-10/h3-6,10,15H,1-2,7H2
InChi Info:
AuxInfo=1/0/N:9,8,1,5,2,4,10,6,3,7,12,13,14,15,11/E:(3,4)(5,6)(12,13,14)/rA:15cCCCCCCCCCCNCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s7s10;s3;s12;s12;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12F3N |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.33466 |
Area: | 356.027 |
Solvation: | -1.56601 |
Coulombic: | -28.984 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 215.215 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.07 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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