3,3-difluoro-N-methyl-1-(methylaminomethyl)cyclobutan-1-amine;ethane

C11H26F2N2 — CID 178106563

IUPAC3,3-difluoro-N-methyl-1-(methylaminomethyl)cyclobutan-1-amine;ethane
SMILESCC.CC.CNCC1(NC)CC(F)(F)C1
InChIInChI=1S/C7H14F2N2.2C2H6/c1-10-5-6(11-2)3-7(8,9)4-6;2*1-2/h10-11H,3-5H2,1-2H3;2*1-2H3
InChIKeyHBYNVISZKJYXSG-UHFFFAOYSA-N
MW224.34 g/mol
LogP2.65
Rot. Bonds3

About 3,3-difluoro-N-methyl-1-(methylaminomethyl)cyclobutan-1-amine;ethane

3,3-difluoro-N-methyl-1-(methylaminomethyl)cyclobutan-1-amine;ethane (PubChem CID 178106563) has the molecular formula C11H26F2N2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3,3-difluoro-N-methyl-1-(methylaminomethyl)cyclobutan-1-amine;ethane.

Molecular Properties

Compound Name3,3-difluoro-N-methyl-1-(methylaminomethyl)cyclobutan-1-amine;ethane
PubChem CID178106563
Molecular FormulaC11H26F2N2
Molecular Weight224.34 g/mol
Exact Mass224.21
IUPAC Name3,3-difluoro-N-methyl-1-(methylaminomethyl)cyclobutan-1-amine;ethane
SMILESCC.CC.CNCC1(NC)CC(F)(F)C1
InChIInChI=1S/C7H14F2N2.2C2H6/c1-10-5-6(11-2)3-7(8,9)4-6;2*1-2/h10-11H,3-5H2,1-2H3;2*1-2H3
InChIKeyHBYNVISZKJYXSG-UHFFFAOYSA-N
XLogP2.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methyl-1-(methylaminomethyl)cyclobutan-1-amine;ethane?
The IUPAC name of 3,3-difluoro-N-methyl-1-(methylaminomethyl)cyclobutan-1-amine;ethane (CID 178106563) is 3,3-difluoro-N-methyl-1-(methylaminomethyl)cyclobutan-1-amine;ethane.
What is the SMILES notation for 3,3-difluoro-N-methyl-1-(methylaminomethyl)cyclobutan-1-amine;ethane?
The canonical SMILES for 3,3-difluoro-N-methyl-1-(methylaminomethyl)cyclobutan-1-amine;ethane is CC.CC.CNCC1(NC)CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-methyl-1-(methylaminomethyl)cyclobutan-1-amine;ethane?
The InChIKey is HBYNVISZKJYXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2.2C2H6/c1-10-5-6(11-2)3-7(8,9)4-6;2*1-2/h10-11H,3-5H2,1-2H3;2*1-2H3.
What are the key properties of 3,3-difluoro-N-methyl-1-(methylaminomethyl)cyclobutan-1-amine;ethane?
3,3-difluoro-N-methyl-1-(methylaminomethyl)cyclobutan-1-amine;ethane has a molecular weight of 224.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methyl-1-(methylaminomethyl)cyclobutan-1-amine;ethane is sourced from PubChem (CID 178106563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).