Chemical ID: 5198108

C1CC(CCC1C(=O)O)NC(=O)NCCF
Chemical ID:
5198108
Name [?]:
4-(2-fluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILES [?]:
C1CC(CCC1C(=O)O)NC(=O)NCCF
InChi [?]:
InChI=1/C10H17FN2O3/c11-5-6-12-10(16)13-8-3-1-7(2-4-8)9(14)15/h7-8H,1-6H2,(H,14,15)(H2,12,13,16)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,15,14,6,3,7,11,16,13,10,8,9,12/E:(1,2)(3,4)(14,15)/rA:16nCCCCCCCOONCONCCF/rB:s1;s2;s3;s4;s1s5;s6;d7;s7;s3;s10;d11;s11;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H17FN2O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.94471
Area:413.821
Solvation:-4.40082
Coulombic:-63.645
Bond Count [?]
All:16
Single:14
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:232.252
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:0.65
LogP (Chemaxon):0.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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