Chemical ID: 3966635

CCNC(C)Cc1cccc(c1)C(F)(F)F
Chemical ID:
3966635
Name [?]:
N-ethyl-1-[3-(trifluoromethyl)phenyl]-propan-2-amine
SMILES [?]:
CCNC(C)Cc1cccc(c1)C(F)(F)F
InChi [?]:
InChI=1/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,9,8,10,6,12,4,7,11,13,14,15,16,3/E:(13,14,15)/rA:16cCCNCCCCCCCCCCFFF/rB:s1;s2;s3;s4;s4;s6;s7;d8;s9;d10;d7s11;s11;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16F3N
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:8.26777
Area:394.55
Solvation:-1.59597
Coulombic:-29.4018
Bond Count [?]
All:16
Single:13
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:231.257
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.5
LogP (Chemaxon):3.46

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Descriptor Annotations

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