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Chemical ID: 5010754
Chemical ID:
5010754
Name [?]:
3-ethyl-2-[(2-fluorophenyl)methyl]pyrrolidine
SMILES [?]:
CCC1CCNC1Cc2ccccc2F
InChi [?]:
InChI=1/C13H18FN/c1-2-10-7-8-15-13(10)9-11-5-3-4-6-12(11)14/h3-6,10,13,15H,2,7-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,12,10,13,4,5,8,3,9,14,7,15,6/rA:15cCCCCCNCCCCCCCCF/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18FN |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.78504 |
Area: | 379.712 |
Solvation: | -1.70776 |
Coulombic: | -14.8109 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 207.287 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.26 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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