3-(2,2-difluoroethoxy)-2-methoxy-N-methylcyclobutan-1-amine

C8H15F2NO2 — CID 104674991

IUPAC3-(2,2-difluoroethoxy)-2-methoxy-N-methylcyclobutan-1-amine
SMILESCNC1CC(OCC(F)F)C1OC
InChIInChI=1S/C8H15F2NO2/c1-11-5-3-6(8(5)12-2)13-4-7(9)10/h5-8,11H,3-4H2,1-2H3
InChIKeyWTVCONPEFYWKKX-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.64
Rot. Bonds5

About 3-(2,2-difluoroethoxy)-2-methoxy-N-methylcyclobutan-1-amine

3-(2,2-difluoroethoxy)-2-methoxy-N-methylcyclobutan-1-amine (PubChem CID 104674991) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-2-methoxy-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-2-methoxy-N-methylcyclobutan-1-amine
PubChem CID104674991
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name3-(2,2-difluoroethoxy)-2-methoxy-N-methylcyclobutan-1-amine
SMILESCNC1CC(OCC(F)F)C1OC
InChIInChI=1S/C8H15F2NO2/c1-11-5-3-6(8(5)12-2)13-4-7(9)10/h5-8,11H,3-4H2,1-2H3
InChIKeyWTVCONPEFYWKKX-UHFFFAOYSA-N
XLogP0.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-2-methoxy-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-2-methoxy-N-methylcyclobutan-1-amine (CID 104674991) is 3-(2,2-difluoroethoxy)-2-methoxy-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-2-methoxy-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-2-methoxy-N-methylcyclobutan-1-amine is CNC1CC(OCC(F)F)C1OC.
What is the InChIKey of 3-(2,2-difluoroethoxy)-2-methoxy-N-methylcyclobutan-1-amine?
The InChIKey is WTVCONPEFYWKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-11-5-3-6(8(5)12-2)13-4-7(9)10/h5-8,11H,3-4H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-2-methoxy-N-methylcyclobutan-1-amine?
3-(2,2-difluoroethoxy)-2-methoxy-N-methylcyclobutan-1-amine has a molecular weight of 195.21 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-2-methoxy-N-methylcyclobutan-1-amine is sourced from PubChem (CID 104674991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).