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Chemical ID: 4515916
Chemical ID:
4515916
Name [?]:
(2-ethyl-1-piperidyl)-(2-fluorophenyl)-methanone
SMILES [?]:
CCC1CCCCN1C(=O)c2ccccc2F
InChi [?]:
InChI=1/C14H18FNO/c1-2-11-7-5-6-10-16(11)14(17)12-8-3-4-9-13(12)15/h3-4,8-9,11H,2,5-7,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,14,5,6,4,12,15,7,3,11,16,9,17,8,10/rA:17cCCCCCCCNCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18FNO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.07568 |
Area: | 395.552 |
Solvation: | -2.81313 |
Coulombic: | -21.7645 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 235.297 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.41 |
LogP (Chemaxon): | 2.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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