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Chemical ID: 6404992
Chemical ID:
6404992
Name [?]:
None
SMILES [?]:
C1=CC23C1c4c(c(c(c(c4F)F)F)F)C2C=C3
InChi [?]:
InChI=1/C13H6F4/c14-9-7-5-1-3-13(5)4-2-6(13)8(7)10(15)12(17)11(9)16/h1-6H
InChi Info:
AuxInfo=1/0/N:1,16,2,17,4,15,5,6,10,7,9,8,3,11,14,12,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(16,17)/rA:17cCCCCCCCCCCFFFFCCC/rB:d1;s2;s1s3;s4;s5;d6;s7;d8;d5s9;s10;s9;s8;s7;s3s6;s15;s3d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H6F4 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 4.73339 |
Area: | 345.047 |
Solvation: | -3.89278 |
Coulombic: | -15.4283 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 238.18 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.19 |
LogP (Chemaxon): | 3.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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