Chemical ID: 7085865

CCCCC[NH2+]Cc1ccccc1F
Chemical ID:
7085865
Name [?]:
(2-fluorophenyl)methyl-pentyl-ammonium
SMILES [?]:
CCCCC[NH2+]Cc1ccccc1F
InChi [?]:
InChI=1/C12H18FN/c1-2-3-6-9-14-10-11-7-4-5-8-12(11)13/h4-5,7-8,14H,2-3,6,9-10H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,3,10,11,4,9,12,5,7,8,13,14,6/rA:14nCCCCCN+CCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19FN+
All Atoms:33
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-23.8087
Area:400.705
Solvation:-33.8264
Coulombic:28.908
Bond Count [?]
All:14
Single:11
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:196.284
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.61
LogP (Chemaxon):3.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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