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Chemical ID: 6423276
Chemical ID:
6423276
Name [?]:
2,2-bis(4-fluorophenyl)ethanamine
SMILES [?]:
c1cc(ccc1C(CN)c2ccc(cc2)F)F
InChi [?]:
InChI=1/C14H13F2N/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8,14H,9,17H2
InChi Info:
AuxInfo=1/0/N:1,5,11,15,2,4,12,14,8,6,10,3,13,7,17,16,9/E:(1,2,3,4)(5,6,7,8)(10,11)(12,13)(15,16)/rA:17nCCCCCCCCNCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s7;s10;d11;s12;d13;d10s14;s13;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13F2N |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.8292 |
Area: | 396.428 |
Solvation: | -3.0815 |
Coulombic: | -21.9837 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 233.257 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.11 |
LogP (Chemaxon): | 3.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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