ethane;N-methyl-2-(methylamino)-N-(3,3,3-trifluoropropyl)acetamide

C9H19F3N2O — CID 144840601

IUPACethane;N-methyl-2-(methylamino)-N-(3,3,3-trifluoropropyl)acetamide
SMILESCC.CNCC(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C7H13F3N2O.C2H6/c1-11-5-6(13)12(2)4-3-7(8,9)10;1-2/h11H,3-5H2,1-2H3;1-2H3
InChIKeyPQOCVFHKWMXBIO-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.64
Rot. Bonds4

About ethane;N-methyl-2-(methylamino)-N-(3,3,3-trifluoropropyl)acetamide

ethane;N-methyl-2-(methylamino)-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 144840601) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is ethane;N-methyl-2-(methylamino)-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound Nameethane;N-methyl-2-(methylamino)-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID144840601
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Nameethane;N-methyl-2-(methylamino)-N-(3,3,3-trifluoropropyl)acetamide
SMILESCC.CNCC(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C7H13F3N2O.C2H6/c1-11-5-6(13)12(2)4-3-7(8,9)10;1-2/h11H,3-5H2,1-2H3;1-2H3
InChIKeyPQOCVFHKWMXBIO-UHFFFAOYSA-N
XLogP1.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-(methylamino)-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of ethane;N-methyl-2-(methylamino)-N-(3,3,3-trifluoropropyl)acetamide (CID 144840601) is ethane;N-methyl-2-(methylamino)-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for ethane;N-methyl-2-(methylamino)-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for ethane;N-methyl-2-(methylamino)-N-(3,3,3-trifluoropropyl)acetamide is CC.CNCC(=O)N(C)CCC(F)(F)F.
What is the InChIKey of ethane;N-methyl-2-(methylamino)-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is PQOCVFHKWMXBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O.C2H6/c1-11-5-6(13)12(2)4-3-7(8,9)10;1-2/h11H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-2-(methylamino)-N-(3,3,3-trifluoropropyl)acetamide?
ethane;N-methyl-2-(methylamino)-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 228.26 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-(methylamino)-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 144840601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).