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Chemical ID: 7244959
Chemical ID:
7244959
Name [?]:
N-benzyl-2,2,2-trifluoro-ethanamine
SMILES [?]:
c1ccc(cc1)CNCC(F)(F)F
InChi [?]:
InChI=1/C9H10F3N/c10-9(11,12)7-13-6-8-4-2-1-3-5-8/h1-5,13H,6-7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,7,9,4,10,11,12,13,8/E:(2,3)(4,5)(10,11,12)/rA:13nCCCCCCCNCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10F3N |
All Atoms: | 23 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.03397 |
Area: | 339.353 |
Solvation: | -2.44986 |
Coulombic: | -27.7689 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 189.178 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.96 |
LogP (Chemaxon): | 2.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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