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Chemical ID: 4117836
Chemical ID:
4117836
Name [?]:
2,2,3,3,4,4,4-heptafluoro-1-phenyl-butan-1-one
SMILES [?]:
c1ccc(cc1)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChi [?]:
InChI=1/C10H5F7O/c11-8(12,9(13,14)10(15,16)17)7(18)6-4-2-1-3-5-6/h1-5H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,4,7,9,10,11,17,18,15,16,12,13,14,8/E:(2,3)(4,5)(11,12)(13,14)(15,16,17)/rA:18nCCCCCCCOCCCFFFFFFF/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s11;s11;s10;s10;s9;s9;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H5F7O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.37737 |
Area: | 361.622 |
Solvation: | -2.66318 |
Coulombic: | -51.186 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 274.135 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.32 |
LogP (Chemaxon): | 4.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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