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Chemical ID: 6323304
Chemical ID:
6323304
Name [?]:
N-(2-fluorophenyl)-3-methyl-butanamide
SMILES [?]:
CC(C)CC(=O)Nc1ccccc1F
InChi [?]:
InChI=1/C11H14FNO/c1-8(2)7-11(14)13-10-6-4-3-5-9(10)12/h3-6,8H,7H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,11,10,12,9,4,2,13,8,5,14,7,6/E:(1,2)/rA:14nCCCCCONCCCCCCF/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14FNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.05223 |
Area: | 365.929 |
Solvation: | -2.09598 |
Coulombic: | -25.6258 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 195.233 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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