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Chemical ID: 7741707

c1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F

Chemical ID:

7741707

Name [?]:

None

SMILES [?]:

c1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F

InChi [?]:

InChI=1/C22H17F6NO3/c23-21(24,25)14-9-13(10-15(11-14)22(26,27)28)19(31)29-7-5-20(6-8-29)12-17(30)16-3-1-2-4-18(16)32-20/h1-4,9-11H,5-8,12H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,12,16,13,15,20,24,22,9,19,21,23,5,7,4,17,10,29,25,30,31,32,26,27,28,14,8,18,11/E:(5,6)(7,8)(9,10)(14,15)(21,22)(23,24,25,26,27,28)/rA:32nCCCCCCCOCCOCCNCCCOCCCCCCCFFFCFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4s10;s10;s12;s13;s14;s10s15;s14;d17;s17;s19;d20;s21;d22;d19s23;s23;s25;s25;s25;s21;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₇F₆NO₃
All Atoms:	49
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	9.36703
Area:	587.705
Solvation:	-5.32559
Coulombic:	-69.3731

Bond Count [?]

All:	35
Single:	27
Double:	8
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.14
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value