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Chemical ID: 5194688
Chemical ID:
5194688
Name [?]:
(4-methoxyphenyl) [2-(trifluoromethyl)phenyl]aminoformate
SMILES [?]:
COc1ccc(cc1)OC(=O)Nc2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C15H12F3NO3/c1-21-10-6-8-11(9-7-10)22-14(20)19-13-5-3-2-4-12(13)15(16,17)18/h2-9H,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,4,8,5,7,3,6,18,13,10,19,20,21,22,12,11,2,9/E:(6,7)(8,9)(16,17,18)/rA:22nCOCCCCCCOCONCCCCCCCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12F3NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.46036 |
Area: | 470.434 |
Solvation: | -3.30049 |
Coulombic: | -59.8892 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 311.256 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.85 |
LogP (Chemaxon): | 4.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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