Chemical ID: 4705867

CC(C)(C)C1CCC(=NOC(=O)c2ccc(cc2)F)CC1
Chemical ID:
4705867
Name [?]:
(4-tert-butylcyclohexylidene)amino 4-fluorobenzoate
SMILES [?]:
CC(C)(C)C1CCC(=NOC(=O)c2ccc(cc2)F)CC1
InChi [?]:
InChI=1/C17H22FNO2/c1-17(2,3)13-6-10-15(11-7-13)19-21-16(20)12-4-8-14(18)9-5-12/h4-5,8-9,13H,6-7,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,14,18,6,21,15,17,7,20,13,5,16,8,11,2,19,9,12,10/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)/rA:21nCCCCCCCCNOCOCCCCCCFCC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s8;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22FNO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.79813
Area:494.03
Solvation:-2.55262
Coulombic:-21.4645
Bond Count [?]
All:22
Single:17
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:291.361
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.7
LogP (Chemaxon):5.33

Name Annotations

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Descriptor Annotations

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