Chemical ID: 6048160

C#Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Chemical ID:
6048160
Name [?]:
1-ethynyl-3,5-bis(trifluoromethyl)benzene
SMILES [?]:
C#Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChi [?]:
InChI=1/C10H4F6/c1-2-6-3-7(9(11,12)13)5-8(4-6)10(14,15)16/h1,3-5H
InChi Info:
AuxInfo=1/0/N:1,2,4,8,6,3,5,7,13,9,14,15,16,10,11,12/E:(3,4)(7,8)(9,10)(11,12,13,14,15,16)/rA:16nCCCCCCCCCFFFCFFF/rB:t1;s2;s3;d4;s5;d6;d3s7;s7;s9;s9;s9;s5;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H4F6
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.3858
Area:354.814
Solvation:-2.48454
Coulombic:-39.2224
Bond Count [?]
All:16
Single:12
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:238.129
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.37
LogP (Chemaxon):4.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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