Chemical ID: 4701118

CC1(OC(=O)C(=CNC(=O)c2ccc(cc2)C(F)(F)F)C(=O)O1)C
Chemical ID:
4701118
Name [?]:
N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-4-(trifluoromethyl)benzamide
SMILES [?]:
CC1(OC(=O)C(=CNC(=O)c2ccc(cc2)C(F)(F)F)C(=O)O1)C
InChi [?]:
InChI=1/C15H12F3NO5/c1-14(2)23-12(21)10(13(22)24-14)7-19-11(20)8-3-5-9(6-4-8)15(16,17)18/h3-7H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,24,12,16,13,15,7,11,14,6,9,4,21,2,17,18,19,20,8,10,5,22,3,23/E:(1,2)(3,4)(5,6)(12,13)(16,17,18)(21,22)(23,24)/rA:24nCCOCOCCNCOCCCCCCCFFFCOOC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s17;s17;s6;d21;s2s21;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12F3NO5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.625
Area:505.706
Solvation:-4.01764
Coulombic:-77.8337
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:343.255
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.16
LogP (Chemaxon):2.27

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Descriptor Annotations

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