Chemical ID: 7471453

c1cc(ccc1C(=O)OCC2CCCO2)F
Chemical ID:
7471453
Name [?]:
tetrahydrofuran-2-ylmethyl 4-fluorobenzoate
SMILES [?]:
c1cc(ccc1C(=O)OCC2CCCO2)F
InChi [?]:
InChI=1/C12H13FO3/c13-10-5-3-9(4-6-10)12(14)16-8-11-2-1-7-15-11/h3-6,11H,1-2,7-8H2
InChi Info:
AuxInfo=1/0/N:13,12,1,5,2,4,14,10,6,3,11,7,16,8,15,9/E:(3,4)(5,6)/rA:16cCCCCCCCOOCCCCCOF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s11s14;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13FO3
All Atoms:29
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:6.17412
Area:404.273
Solvation:-3.9327
Coulombic:-31.846
Bond Count [?]
All:17
Single:13
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:224.228
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.47
LogP (Chemaxon):1.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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