Chemical ID: 4339289

CCCC(=O)c1ccc(c(c1)F)N2CCOCC2
Chemical ID:
4339289
Name [?]:
1-(3-fluoro-4-morpholino-phenyl)butan-1-one
SMILES [?]:
CCCC(=O)c1ccc(c(c1)F)N2CCOCC2
InChi [?]:
InChI=1/C14H18FNO2/c1-2-3-14(17)11-4-5-13(12(15)10-11)16-6-8-18-9-7-16/h4-5,10H,2-3,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,7,8,14,18,15,17,11,6,10,9,4,12,13,5,16/E:(6,7)(8,9)/rA:18nCCCCOCCCCCCFNCCOCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s9;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18FNO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.24043
Area:436.123
Solvation:-4.66266
Coulombic:-26.3099
Bond Count [?]
All:19
Single:15
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:251.297
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.65
LogP (Chemaxon):2.44

Name Annotations

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Descriptor Annotations

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