alumane;1,1,1,3,5,5-hexafluoropentane-2,4-dione

C5H5AlF6O2 — CID 174770682

IUPACalumane;1,1,1,3,5,5-hexafluoropentane-2,4-dione
SMILESO=C(C(F)F)C(F)C(=O)C(F)(F)F.[AlH3]
InChIInChI=1S/C5H2F6O2.Al.3H/c6-1(2(12)4(7)8)3(13)5(9,10)11;;;;/h1,4H;;;;
InChIKeyAQAAVEDWXGKWRU-UHFFFAOYSA-N
MW238.06 g/mol
LogP0.11
Rot. Bonds3

About alumane;1,1,1,3,5,5-hexafluoropentane-2,4-dione

alumane;1,1,1,3,5,5-hexafluoropentane-2,4-dione (PubChem CID 174770682) has the molecular formula C5H5AlF6O2 and a molecular weight of 238.06 g/mol. Its IUPAC name is alumane;1,1,1,3,5,5-hexafluoropentane-2,4-dione.

Molecular Properties

Compound Namealumane;1,1,1,3,5,5-hexafluoropentane-2,4-dione
PubChem CID174770682
Molecular FormulaC5H5AlF6O2
Molecular Weight238.06 g/mol
Exact Mass238.00
IUPAC Namealumane;1,1,1,3,5,5-hexafluoropentane-2,4-dione
SMILESO=C(C(F)F)C(F)C(=O)C(F)(F)F.[AlH3]
InChIInChI=1S/C5H2F6O2.Al.3H/c6-1(2(12)4(7)8)3(13)5(9,10)11;;;;/h1,4H;;;;
InChIKeyAQAAVEDWXGKWRU-UHFFFAOYSA-N
XLogP0.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.06
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-4,4,4-trifluoro-3-oxobutanoic acid
CID 23453164
4,4-difluoro-3-oxo-2-(trifluoromethyl)butanoic acid
CID 90039716
3-bromo-1,1,1-trifluoro-3-hydroxypropan-2-one
CID 162585373
3-ethyl-1,1,1-trifluoropentane-2,4-dione
CID 139762441
(2S)-2-bromo-4,4,4-trifluoro-3-oxobutanoic acid
CID 98469172
2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 22561436
(2S)-2,3,3,3-tetrafluoropropanamide
CID 7005133
1,1,3,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one
CID 137182697
3-amino-4-bromo-1,1,1-trifluorobutan-2-one
CID 19904779
(3S,4R)-1,1,1-trifluoro-3,4,5-trihydroxypentan-2-one
CID 152743649
1,1,3,3,4,4,4-heptafluorobutan-2-one;sulfuric acid
CID 22759346
copper;2,2-difluoroacetic acid
CID 88507984

Frequently Asked Questions

What is the IUPAC name of alumane;1,1,1,3,5,5-hexafluoropentane-2,4-dione?
The IUPAC name of alumane;1,1,1,3,5,5-hexafluoropentane-2,4-dione (CID 174770682) is alumane;1,1,1,3,5,5-hexafluoropentane-2,4-dione.
What is the SMILES notation for alumane;1,1,1,3,5,5-hexafluoropentane-2,4-dione?
The canonical SMILES for alumane;1,1,1,3,5,5-hexafluoropentane-2,4-dione is O=C(C(F)F)C(F)C(=O)C(F)(F)F.[AlH3].
What is the InChIKey of alumane;1,1,1,3,5,5-hexafluoropentane-2,4-dione?
The InChIKey is AQAAVEDWXGKWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6O2.Al.3H/c6-1(2(12)4(7)8)3(13)5(9,10)11;;;;/h1,4H;;;;.
What are the key properties of alumane;1,1,1,3,5,5-hexafluoropentane-2,4-dione?
alumane;1,1,1,3,5,5-hexafluoropentane-2,4-dione has a molecular weight of 238.06 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;1,1,1,3,5,5-hexafluoropentane-2,4-dione is sourced from PubChem (CID 174770682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).