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Chemical ID: 3966616
Chemical ID:
3966616
Name [?]:
N-(2-fluoroethyl)-2-methyl-icosa-5,8,11,14-tetraenamide
SMILES [?]:
CCCCCC=CCC=CCC=CCC=CCCC(C)C(=O)NCCF
InChi [?]:
InChI=1/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,20,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,25,24,19,21,26,23,22/rA:26cCCCCCCCCCCCCCCCCCCCCCONCCF/rB:s1;s2;s3;s4;s5;w6;s7;s8;w9;s10;s11;w12;s13;s14;w15;s16;s17;s18;s19;s19;d21;s21;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H38FNO |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.6749 |
Area: | 731.78 |
Solvation: | -3.61964 |
Coulombic: | -31.1386 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 17 |
Chiral: | 4 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 363.552 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 7.16 |
LogP (Chemaxon): | 6.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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