Chemical ID: 6670834

CC(=C)OC(=O)CCOC(=O)Nc1cccc(c1)C(F)(F)F
Chemical ID:
6670834
Name [?]:
isopropenyl 3-[[3-(trifluoromethyl)phenyl]carbamoyloxy]propanoate
SMILES [?]:
CC(=C)OC(=O)CCOC(=O)Nc1cccc(c1)C(F)(F)F
InChi [?]:
InChI=1/C14H14F3NO4/c1-9(2)22-12(19)6-7-21-13(20)18-11-5-3-4-10(8-11)14(15,16)17/h3-5,8H,1,6-7H2,2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:3,1,15,16,14,7,8,18,2,17,13,5,10,19,20,21,22,12,6,11,9,4/E:(15,16,17)/rA:22nCCCOCOCCOCONCCCCCCCFFF/rB:s1;d2;s2;s4;d5;s5;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14F3NO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.46106
Area:510.123
Solvation:-3.292
Coulombic:-69.2289
Bond Count [?]
All:22
Single:16
Double:6
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:317.26
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.92
LogP (Chemaxon):2.79

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Descriptor Annotations

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