Chemical ID: 4695038

CC(C(=O)C)Oc1ccccc1F
Chemical ID:
4695038
Name [?]:
3-(2-fluorophenoxy)butan-2-one
SMILES [?]:
CC(C(=O)C)Oc1ccccc1F
InChi [?]:
InChI=1/C10H11FO2/c1-7(12)8(2)13-10-6-4-3-5-9(10)11/h3-6,8H,1-2H3
InChi Info:
AuxInfo=1/0/N:5,1,10,9,11,8,3,2,12,7,13,4,6/rA:13cCCCOCOCCCCCCF/rB:s1;s2;d3;s3;s2;s6;s7;d8;s9;d10;d7s11;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11FO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:3.37329
Area:343.426
Solvation:-5.21236
Coulombic:-17.9991
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:182.192
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.27
LogP (Chemaxon):2.56

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Experimental Annotations

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Descriptor Annotations

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