Chemical ID: 5010754

CCC1CCNC1Cc2ccccc2F
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

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Descriptor Annotations

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