Chemical ID: 4171497

c1ccc(c(c1)CN2CCCCCC2)F
Chemical ID:
4171497
Name [?]:
1-[(2-fluorophenyl)methyl]azepane
SMILES [?]:
c1ccc(c(c1)CN2CCCCCC2)F
InChi [?]:
InChI=1/C13H18FN/c14-13-8-4-3-7-12(13)11-15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-11H2
InChi Info:
AuxInfo=1/0/N:11,12,1,2,10,13,6,3,9,14,7,5,4,15,8/E:(1,2)(5,6)(9,10)/rA:15nCCCCCCCNCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s8s13;s4;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18FN
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.25701
Area:371.652
Solvation:-2.03428
Coulombic:-10.5972
Bond Count [?]
All:16
Single:13
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:207.287
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.16
LogP (Chemaxon):3.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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