Chemical ID: 6689986

C#Cc1ccc(cc1)C(F)(F)F
Chemical ID:
6689986
Name [?]:
1-ethynyl-4-(trifluoromethyl)benzene
SMILES [?]:
C#Cc1ccc(cc1)C(F)(F)F
InChi [?]:
InChI=1/C9H5F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h1,3-6H
InChi Info:
AuxInfo=1/0/N:1,2,4,8,5,7,3,6,9,10,11,12/E:(3,4)(5,6)(10,11,12)/rA:12nCCCCCCCCCFFF/rB:t1;s2;s3;d4;s5;d6;d3s7;s6;s9;s9;s9;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H5F3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.26944
Area:310.608
Solvation:-1.49576
Coulombic:-22.2521
Bond Count [?]
All:12
Single:8
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:170.131
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.45
LogP (Chemaxon):3.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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