Chemical ID: 6934587

CCC(C)C(=O)Nc1ccccc1F
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

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Descriptor Annotations

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