molecular hydrogen;1,1,1-trifluoro-3-(methylamino)butan-2-one

C5H10F3NO — CID 162225982

IUPACmolecular hydrogen;1,1,1-trifluoro-3-(methylamino)butan-2-one
SMILESCNC(C)C(=O)C(F)(F)F.[H][H]
InChIInChI=1S/C5H8F3NO.H2/c1-3(9-2)4(10)5(6,7)8;/h3,9H,1-2H3;1H
InChIKeyZUTQFTYBSXKHMA-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.97
Rot. Bonds2

About molecular hydrogen;1,1,1-trifluoro-3-(methylamino)butan-2-one

molecular hydrogen;1,1,1-trifluoro-3-(methylamino)butan-2-one (PubChem CID 162225982) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is molecular hydrogen;1,1,1-trifluoro-3-(methylamino)butan-2-one.

Molecular Properties

Compound Namemolecular hydrogen;1,1,1-trifluoro-3-(methylamino)butan-2-one
PubChem CID162225982
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Namemolecular hydrogen;1,1,1-trifluoro-3-(methylamino)butan-2-one
SMILESCNC(C)C(=O)C(F)(F)F.[H][H]
InChIInChI=1S/C5H8F3NO.H2/c1-3(9-2)4(10)5(6,7)8;/h3,9H,1-2H3;1H
InChIKeyZUTQFTYBSXKHMA-UHFFFAOYSA-N
XLogP0.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1,1,1-trifluoro-3-(methylamino)butan-2-one?
The IUPAC name of molecular hydrogen;1,1,1-trifluoro-3-(methylamino)butan-2-one (CID 162225982) is molecular hydrogen;1,1,1-trifluoro-3-(methylamino)butan-2-one.
What is the SMILES notation for molecular hydrogen;1,1,1-trifluoro-3-(methylamino)butan-2-one?
The canonical SMILES for molecular hydrogen;1,1,1-trifluoro-3-(methylamino)butan-2-one is CNC(C)C(=O)C(F)(F)F.[H][H].
What is the InChIKey of molecular hydrogen;1,1,1-trifluoro-3-(methylamino)butan-2-one?
The InChIKey is ZUTQFTYBSXKHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO.H2/c1-3(9-2)4(10)5(6,7)8;/h3,9H,1-2H3;1H.
What are the key properties of molecular hydrogen;1,1,1-trifluoro-3-(methylamino)butan-2-one?
molecular hydrogen;1,1,1-trifluoro-3-(methylamino)butan-2-one has a molecular weight of 157.13 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1,1,1-trifluoro-3-(methylamino)butan-2-one is sourced from PubChem (CID 162225982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).