Chemical ID: 4116491

CCC(=O)c1c(cccc1F)F
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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