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Chemical ID: 7090568
Chemical ID:
7090568
Name [?]:
2,2,3,3,3-pentafluoro-1-(2-thienyl)propan-1-ol
SMILES [?]:
c1cc(sc1)C(C(C(F)(F)F)(F)F)O
InChi [?]:
InChI=1/C7H5F5OS/c8-6(9,7(10,11)12)5(13)4-2-1-3-14-4/h1-3,5,13H
InChi Info:
AuxInfo=1/0/N:1,2,5,3,6,7,8,12,13,9,10,11,14,4/E:(8,9)(10,11,12)/rA:14cCCCSCCCCFFFFFO/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;s8;s8;s7;s7;s6;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H5F5OS |
All Atoms: | 19 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.38765 |
Area: | 327.351 |
Solvation: | -2.79613 |
Coulombic: | -48.3644 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 232.172 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.68 |
LogP (Chemaxon): | 2.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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