Chemical ID: 7244959

c1ccc(cc1)CNCC(F)(F)F
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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