Chemical ID: 4116444

CC(=O)c1cc(ccc1F)F
Chemical ID:
4116444
Name [?]:
1-(2,5-difluorophenyl)ethanone
SMILES [?]:
CC(=O)c1cc(ccc1F)F
InChi [?]:
InChI=1/C8H6F2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,5,2,6,4,9,11,10,3/rA:11nCCOCCCCCCFF/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s6;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6F2O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:2.9367
Area:286.591
Solvation:-4.22808
Coulombic:-12.6567
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:156.129
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.18
LogP (Chemaxon):1.63

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Experimental Annotations

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Descriptor Annotations

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