Chemical ID: 4117087

c1ccc(cc1)C(=O)c2cccc(c2F)F
Chemical ID:
4117087
Name [?]:
(2,3-difluorophenyl)-phenyl-methanone
SMILES [?]:
c1ccc(cc1)C(=O)c2cccc(c2F)F
InChi [?]:
InChI=1/C13H8F2O/c14-11-8-4-7-10(12(11)15)13(16)9-5-2-1-3-6-9/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,6,11,3,5,10,12,4,9,13,14,7,16,15,8/E:(2,3)(5,6)/rA:16nCCCCCCCOCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8F2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.95988
Area:370.706
Solvation:-3.30778
Coulombic:-17.9383
Bond Count [?]
All:17
Single:10
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:218.199
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.9
LogP (Chemaxon):3.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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