deuterio(fluoro)methane;2,5-dimethylfuran;hexane-2,5-dione;methane;molecular hydrogen

C14H27FO3 — CID 159933165

IUPACdeuterio(fluoro)methane;2,5-dimethylfuran;hexane-2,5-dione;methane;molecular hydrogen
SMILESC.CC(=O)CCC(C)=O.Cc1ccc(C)o1.[2H]CF.[H][H]
InChIInChI=1S/C6H10O2.C6H8O.CH3F.CH4.H2/c1-5(7)3-4-6(2)8;1-5-3-4-6(2)7-5;1-2;;/h3-4H2,1-2H3;3-4H,1-2H3;1H3;1H4;1H/i;;1D;;
InChIKeyNZXCREYFSFUJDM-JCJDDGPNSA-N
MW263.37 g/mol
LogP4.31
Rot. Bonds3

About deuterio(fluoro)methane;2,5-dimethylfuran;hexane-2,5-dione;methane;molecular hydrogen

deuterio(fluoro)methane;2,5-dimethylfuran;hexane-2,5-dione;methane;molecular hydrogen (PubChem CID 159933165) has the molecular formula C14H27FO3 and a molecular weight of 263.37 g/mol. Its IUPAC name is deuterio(fluoro)methane;2,5-dimethylfuran;hexane-2,5-dione;methane;molecular hydrogen.

Molecular Properties

Compound Namedeuterio(fluoro)methane;2,5-dimethylfuran;hexane-2,5-dione;methane;molecular hydrogen
PubChem CID159933165
Molecular FormulaC14H27FO3
Molecular Weight263.37 g/mol
Exact Mass263.20
IUPAC Namedeuterio(fluoro)methane;2,5-dimethylfuran;hexane-2,5-dione;methane;molecular hydrogen
SMILESC.CC(=O)CCC(C)=O.Cc1ccc(C)o1.[2H]CF.[H][H]
InChIInChI=1S/C6H10O2.C6H8O.CH3F.CH4.H2/c1-5(7)3-4-6(2)8;1-5-3-4-6(2)7-5;1-2;;/h3-4H2,1-2H3;3-4H,1-2H3;1H3;1H4;1H/i;;1D;;
InChIKeyNZXCREYFSFUJDM-JCJDDGPNSA-N
XLogP4.31
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;2,5-dimethylfuran;hexane-2,5-dione;methane;molecular hydrogen?
The IUPAC name of deuterio(fluoro)methane;2,5-dimethylfuran;hexane-2,5-dione;methane;molecular hydrogen (CID 159933165) is deuterio(fluoro)methane;2,5-dimethylfuran;hexane-2,5-dione;methane;molecular hydrogen.
What is the SMILES notation for deuterio(fluoro)methane;2,5-dimethylfuran;hexane-2,5-dione;methane;molecular hydrogen?
The canonical SMILES for deuterio(fluoro)methane;2,5-dimethylfuran;hexane-2,5-dione;methane;molecular hydrogen is C.CC(=O)CCC(C)=O.Cc1ccc(C)o1.[2H]CF.[H][H].
What is the InChIKey of deuterio(fluoro)methane;2,5-dimethylfuran;hexane-2,5-dione;methane;molecular hydrogen?
The InChIKey is NZXCREYFSFUJDM-JCJDDGPNSA-N. The full InChI is InChI=1S/C6H10O2.C6H8O.CH3F.CH4.H2/c1-5(7)3-4-6(2)8;1-5-3-4-6(2)7-5;1-2;;/h3-4H2,1-2H3;3-4H,1-2H3;1H3;1H4;1H/i;;1D;;.
What are the key properties of deuterio(fluoro)methane;2,5-dimethylfuran;hexane-2,5-dione;methane;molecular hydrogen?
deuterio(fluoro)methane;2,5-dimethylfuran;hexane-2,5-dione;methane;molecular hydrogen has a molecular weight of 263.37 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio(fluoro)methane;2,5-dimethylfuran;hexane-2,5-dione;methane;molecular hydrogen is sourced from PubChem (CID 159933165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).