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Chemical ID: 6934587
Chemical ID:
6934587
Name [?]:
N-(2-fluorophenyl)-2-methyl-butanamide
SMILES [?]:
CCC(C)C(=O)Nc1ccccc1F
InChi [?]:
InChI=1/C11H14FNO/c1-3-8(2)11(14)13-10-7-5-4-6-9(10)12/h4-8H,3H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,4,2,11,10,12,9,3,13,8,5,14,7,6/rA:14cCCCCCONCCCCCCF/rB:s1;s2;s3;s3;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14FNO |
All Atoms: | 28 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.08609 |
Area: | 366.047 |
Solvation: | -2.06509 |
Coulombic: | -25.9982 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 195.233 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.55 |
LogP (Chemaxon): | 2.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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