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Chemical ID: 4263914
Chemical ID:
4263914
Name [?]:
(2-fluorophenyl)-(1-piperidyl)methanone
SMILES [?]:
c1ccc(c(c1)C(=O)N2CCCCC2)F
InChi [?]:
InChI=1/C12H14FNO/c13-11-7-3-2-6-10(11)12(15)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-9H2
InChi Info:
AuxInfo=1/0/N:12,1,2,11,13,6,3,10,14,5,4,7,15,9,8/E:(4,5)(8,9)/rA:15nCCCCCCCONCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s4;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14FNO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.32638 |
Area: | 362.231 |
Solvation: | -2.7294 |
Coulombic: | -21.5123 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 207.244 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.59 |
LogP (Chemaxon): | 2.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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