methane;1,1,1-trifluoropentane-2,4-dione

C6H9F3O2 — CID 160600044

IUPACmethane;1,1,1-trifluoropentane-2,4-dione
SMILESC.CC(=O)CC(=O)C(F)(F)F
InChIInChI=1S/C5H5F3O2.CH4/c1-3(9)2-4(10)5(6,7)8;/h2H2,1H3;1H4
InChIKeyREDNMOXDWJTFNG-UHFFFAOYSA-N
MW170.13 g/mol
LogP1.73
Rot. Bonds2

About methane;1,1,1-trifluoropentane-2,4-dione

methane;1,1,1-trifluoropentane-2,4-dione (PubChem CID 160600044) has the molecular formula C6H9F3O2 and a molecular weight of 170.13 g/mol. Its IUPAC name is methane;1,1,1-trifluoropentane-2,4-dione.

Molecular Properties

Compound Namemethane;1,1,1-trifluoropentane-2,4-dione
PubChem CID160600044
Molecular FormulaC6H9F3O2
Molecular Weight170.13 g/mol
Exact Mass170.06
IUPAC Namemethane;1,1,1-trifluoropentane-2,4-dione
SMILESC.CC(=O)CC(=O)C(F)(F)F
InChIInChI=1S/C5H5F3O2.CH4/c1-3(9)2-4(10)5(6,7)8;/h2H2,1H3;1H4
InChIKeyREDNMOXDWJTFNG-UHFFFAOYSA-N
XLogP1.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 51.73
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

CID 158271114
CID 158271114
samarium;1,1,1-trifluoropentane-2,4-dione
CID 174544017
1,1,1-trifluoropentane-2,4-dione;zirconium
CID 87257091
lithium;hydride;1,1,1-trifluoropentane-2,4-dione
CID 173192040
copper;1,1,1,5,5,5-hexafluoropentane-2,4-dione
CID 15360935
pentane-2,4-dione;2,2,2-trifluoroacetic acid
CID 161201748
calcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride
CID 173351670
5-ethyl-5-(trifluoromethyl)heptane-2,4-dione
CID 158196013
6-fluoro-5,5-dimethylhexane-2,4-dione
CID 151716617
Lithium pentane-2,4-dione
CID 86735745
1-fluoropropan-2-one;methane;tetrafluoromethane
CID 159658714
europium;1,1,1-trifluoroheptane-2,4-dione
CID 159104336

Frequently Asked Questions

What is the IUPAC name of methane;1,1,1-trifluoropentane-2,4-dione?
The IUPAC name of methane;1,1,1-trifluoropentane-2,4-dione (CID 160600044) is methane;1,1,1-trifluoropentane-2,4-dione.
What is the SMILES notation for methane;1,1,1-trifluoropentane-2,4-dione?
The canonical SMILES for methane;1,1,1-trifluoropentane-2,4-dione is C.CC(=O)CC(=O)C(F)(F)F.
What is the InChIKey of methane;1,1,1-trifluoropentane-2,4-dione?
The InChIKey is REDNMOXDWJTFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O2.CH4/c1-3(9)2-4(10)5(6,7)8;/h2H2,1H3;1H4.
What are the key properties of methane;1,1,1-trifluoropentane-2,4-dione?
methane;1,1,1-trifluoropentane-2,4-dione has a molecular weight of 170.13 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,1,1-trifluoropentane-2,4-dione is sourced from PubChem (CID 160600044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).