1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one;1,1,2,2-tetrafluoroethene

C7F14O — CID 174941938

IUPAC1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one;1,1,2,2-tetrafluoroethene
SMILESFC(F)=C(F)F.O=C(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5F10O.C2F4/c6-2(7,4(10,11)12)1(16)3(8,9)5(13,14)15;3-1(4)2(5)6
InChIKeyAUYVCJGWYVZTRI-UHFFFAOYSA-N
MW366.05 g/mol
LogP4.94
Rot. Bonds2

About 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one;1,1,2,2-tetrafluoroethene

1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one;1,1,2,2-tetrafluoroethene (PubChem CID 174941938) has the molecular formula C7F14O and a molecular weight of 366.05 g/mol. Its IUPAC name is 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one;1,1,2,2-tetrafluoroethene.

Molecular Properties

Compound Name1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one;1,1,2,2-tetrafluoroethene
PubChem CID174941938
Molecular FormulaC7F14O
Molecular Weight366.05 g/mol
Exact Mass365.97
IUPAC Name1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one;1,1,2,2-tetrafluoroethene
SMILESFC(F)=C(F)F.O=C(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5F10O.C2F4/c6-2(7,4(10,11)12)1(16)3(8,9)5(13,14)15;3-1(4)2(5)6
InChIKeyAUYVCJGWYVZTRI-UHFFFAOYSA-N
XLogP4.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.05
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1,4,4,4-Hexafluoro-2,3-butanedione
CID 2759264
Perfluoro-2-butanone
CID 3429852
1,1,1,2,2,4,4,5,5,5-Decafluoro-3-pentanone
CID 13115943
Perfluoro-2-pentanone
CID 11780424
1,1,1,2,2,5,5,5-Octafluoropentan-3-one
CID 12530413
Perfluoro-3-hexanone
CID 14933397
Tetrafluoroethyl ketone
CID 88684021
Octafluoropentane-2,3-dione
CID 2775871
1,1,2,2,4,4,5,5-Octafluoropentan-3-one
CID 21483511
1,1,1,2,2,4,5,5-Octafluoropentan-3-one
CID 71359522
1,1,1,2,2,4,4,5,5-Nonafluoropentan-3-one
CID 85793649
1,1,1,2,2,4,4,5-Octafluoropentan-3-one
CID 85793652

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one;1,1,2,2-tetrafluoroethene?
The IUPAC name of 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one;1,1,2,2-tetrafluoroethene (CID 174941938) is 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one;1,1,2,2-tetrafluoroethene.
What is the SMILES notation for 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one;1,1,2,2-tetrafluoroethene?
The canonical SMILES for 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one;1,1,2,2-tetrafluoroethene is FC(F)=C(F)F.O=C(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one;1,1,2,2-tetrafluoroethene?
The InChIKey is AUYVCJGWYVZTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F10O.C2F4/c6-2(7,4(10,11)12)1(16)3(8,9)5(13,14)15;3-1(4)2(5)6.
What are the key properties of 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one;1,1,2,2-tetrafluoroethene?
1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one;1,1,2,2-tetrafluoroethene has a molecular weight of 366.05 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one;1,1,2,2-tetrafluoroethene is sourced from PubChem (CID 174941938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).