Chemical ID: 4695028

CC(C(=O)C)Oc1ccc(cc1F)F
Chemical ID:
4695028
Name [?]:
3-(2,4-difluorophenoxy)butan-2-one
SMILES [?]:
CC(C(=O)C)Oc1ccc(cc1F)F
InChi [?]:
InChI=1/C10H10F2O2/c1-6(13)7(2)14-10-4-3-8(11)5-9(10)12/h3-5,7H,1-2H3
InChi Info:
AuxInfo=1/0/N:5,1,9,8,11,3,2,10,12,7,14,13,4,6/rA:14cCCCOCOCCCCCCFF/rB:s1;s2;d3;s3;s2;s6;s7;d8;s9;d10;d7s11;s12;s10;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10F2O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:2.65722
Area:349.514
Solvation:-6.08064
Coulombic:-19.7728
Bond Count [?]
All:14
Single:10
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:200.182
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.43
LogP (Chemaxon):2.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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