Chemical ID: 6404992

C1=CC23C1c4c(c(c(c(c4F)F)F)F)C2C=C3
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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