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Chemical ID: 4695038
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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