Chemical ID: 4178115

c1ccc(cc1)CN(CCO)Cc2ccc(cc2)C(F)(F)F
Chemical ID:
4178115
Name [?]:
2-[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol
SMILES [?]:
c1ccc(cc1)CN(CCO)Cc2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C17H18F3NO/c18-17(19,20)16-8-6-15(7-9-16)13-21(10-11-22)12-14-4-2-1-3-5-14/h1-9,22H,10-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,14,18,15,17,9,10,7,12,4,13,16,19,20,21,22,8,11/E:(2,3)(4,5)(6,7)(8,9)(18,19,20)/rA:22cCCCCCCCNCCOCCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s8;s12;s13;d14;s15;d16;d13s17;s16;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18F3NO
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.99567
Area:486.709
Solvation:-3.17206
Coulombic:-43.4365
Bond Count [?]
All:23
Single:17
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:309.326
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.7
LogP (Chemaxon):4.15

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Descriptor Annotations

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