Chemical ID: 4696463

c1cc2c(cc1C(F)(F)F)N3CCCC3CN2
Chemical ID:
4696463
Name [?]:
None
SMILES [?]:
c1cc2c(cc1C(F)(F)F)N3CCCC3CN2
InChi [?]:
InChI=1/C12H13F3N2/c13-12(14,15)8-3-4-10-11(6-8)17-5-1-2-9(17)7-16-10/h3-4,6,9,16H,1-2,5,7H2
InChi Info:
AuxInfo=1/0/N:13,14,1,2,12,5,16,6,15,3,4,7,8,9,10,17,11/E:(13,14,15)/rA:17cCCCCCCCFFFNCCCCCN/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s4;s11;s12;s13;s11s14;s15;s3s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13F3N2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:7.19275
Area:367.647
Solvation:-1.99843
Coulombic:-36.8497
Bond Count [?]
All:19
Single:16
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:242.24
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.13
LogP (Chemaxon):2.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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