Chemical ID: 4291840

c1ccc2c(c1)ccc3c2C(=O)CC(O3)(C(F)(F)F)O
Chemical ID:
4291840
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2C(=O)CC(O3)(C(F)(F)F)O
InChi [?]:
InChI=1/C14H9F3O3/c15-14(16,17)13(19)7-10(18)12-9-4-2-1-3-8(9)5-6-11(12)20-13/h1-6,19H,7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,13,5,4,11,9,10,14,16,17,18,19,12,20,15/E:(15,16,17)/rA:20cCCCCCCCCCCCOCCOCFFFO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;s13;s9s14;s14;s16;s16;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9F3O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:6.96523
Area:397.259
Solvation:-2.96625
Coulombic:-54.8914
Bond Count [?]
All:22
Single:16
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:282.215
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.55
LogP (Chemaxon):3.44

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