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Chemical ID: 4323736
Chemical ID:
4323736
Name [?]:
(2,6-difluorophenyl)-(2,6-dimethyl-1-piperidyl)-methanone
SMILES [?]:
CC1CCCC(N1C(=O)c2c(cccc2F)F)C
InChi [?]:
InChI=1/C14H17F2NO/c1-9-5-3-6-10(2)17(9)14(18)13-11(15)7-4-8-12(13)16/h4,7-10H,3,5-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,4,13,3,5,12,14,2,6,11,15,10,8,17,16,7,9/E:(1,2)(5,6)(7,8)(9,10)(11,12)(15,16)/rA:18cCCCCCCNCOCCCCCCFFC/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s11;s6;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17F2NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.46866 |
Area: | 385.121 |
Solvation: | -3.15936 |
Coulombic: | -24.2379 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 253.288 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.67 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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