Chemical ID: 4477000

CC(C)OC(=O)c1c(c(c(c(c1F)F)F)F)F
Chemical ID:
4477000
Name [?]:
isopropyl 2,3,4,5,6-pentafluorobenzoate
SMILES [?]:
CC(C)OC(=O)c1c(c(c(c(c1F)F)F)F)F
InChi [?]:
InChI=1/C10H7F5O2/c1-3(2)17-10(16)4-5(11)7(13)9(15)8(14)6(4)12/h3H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,2,7,8,12,9,11,10,5,17,13,16,14,15,6,4/E:(1,2)(5,6)(7,8)(11,12)(13,14)/rA:17nCCCOCOCCCCCCFFFFF/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s11;s10;s9;s8;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7F5O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:3.30376
Area:376.513
Solvation:-6.10906
Coulombic:-31.0003
Bond Count [?]
All:17
Single:13
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:254.153
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.65
LogP (Chemaxon):3.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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