Chemical ID: 6694465

CC(C)CC(C(=O)OC)NC(=O)C(F)(F)F
Chemical ID:
6694465
Name [?]:
methyl 4-methyl-2-(2,2,2-trifluoroacetyl)amino-pentanoate
SMILES [?]:
CC(C)CC(C(=O)OC)NC(=O)C(F)(F)F
InChi [?]:
InChI=1/C9H14F3NO3/c1-5(2)4-6(7(14)16-3)13-8(15)9(10,11)12/h5-6H,4H2,1-3H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,3,9,4,2,5,6,11,13,14,15,16,10,7,12,8/E:(1,2)(10,11,12)/rA:16cCCCCCCOOCNCOCFFF/rB:s1;s2;s2;s4;s5;d6;s6;s8;s5;s10;d11;s11;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H14F3NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.23473
Area:401.475
Solvation:-2.80216
Coulombic:-62.3855
Bond Count [?]
All:15
Single:13
Double:2
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:241.208
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.07
LogP (Chemaxon):1.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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