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Chemical ID: 4116491
Chemical ID:
4116491
Name [?]:
1-(2,6-difluorophenyl)propan-1-one
SMILES [?]:
CCC(=O)c1c(cccc1F)F
InChi [?]:
InChI=1/C9H8F2O/c1-2-8(12)9-6(10)4-3-5-7(9)11/h3-5H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,7,9,6,10,3,5,12,11,4/E:(4,5)(6,7)(10,11)/rA:12nCCCOCCCCCCFF/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s6;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8F2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.22543 |
Area: | 305.335 |
Solvation: | -3.40793 |
Coulombic: | -14.2533 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 170.156 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.44 |
LogP (Chemaxon): | 2.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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