Chemical ID: 4117836

c1ccc(cc1)C(=O)C(C(C(F)(F)F)(F)F)(F)F
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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Descriptor Annotations

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