ethane;6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one

C10H20F3NO — CID 145087540

IUPACethane;6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one
SMILESCC.CNC(CC(C)C(F)(F)F)C(C)=O
InChIInChI=1S/C8H14F3NO.C2H6/c1-5(8(9,10)11)4-7(12-3)6(2)13;1-2/h5,7,12H,4H2,1-3H3;1-2H3
InChIKeyPFLURVPHSMPPCV-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.78
Rot. Bonds4

About ethane;6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one

ethane;6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one (PubChem CID 145087540) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is ethane;6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one.

Molecular Properties

Compound Nameethane;6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one
PubChem CID145087540
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Nameethane;6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one
SMILESCC.CNC(CC(C)C(F)(F)F)C(C)=O
InChIInChI=1S/C8H14F3NO.C2H6/c1-5(8(9,10)11)4-7(12-3)6(2)13;1-2/h5,7,12H,4H2,1-3H3;1-2H3
InChIKeyPFLURVPHSMPPCV-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one?
The IUPAC name of ethane;6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one (CID 145087540) is ethane;6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one.
What is the SMILES notation for ethane;6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one?
The canonical SMILES for ethane;6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one is CC.CNC(CC(C)C(F)(F)F)C(C)=O.
What is the InChIKey of ethane;6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one?
The InChIKey is PFLURVPHSMPPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO.C2H6/c1-5(8(9,10)11)4-7(12-3)6(2)13;1-2/h5,7,12H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one?
ethane;6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one has a molecular weight of 227.27 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one is sourced from PubChem (CID 145087540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).