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

C7H13F2NO — CID 82009794

IUPAC3-(2,2-difluoroethoxy)-N-methylcyclobutan-1-amine
SMILESCNC1CC(OCC(F)F)C1
InChIInChI=1S/C7H13F2NO/c1-10-5-2-6(3-5)11-4-7(8)9/h5-7,10H,2-4H2,1H3
InChIKeyKJYXNCKQQURWMZ-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.02
Rot. Bonds4

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

3-(2,2-difluoroethoxy)-N-methylcyclobutan-1-amine (PubChem CID 82009794) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-methylcyclobutan-1-amine
PubChem CID82009794
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name3-(2,2-difluoroethoxy)-N-methylcyclobutan-1-amine
SMILESCNC1CC(OCC(F)F)C1
InChIInChI=1S/C7H13F2NO/c1-10-5-2-6(3-5)11-4-7(8)9/h5-7,10H,2-4H2,1H3
InChIKeyKJYXNCKQQURWMZ-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-methylcyclobutan-1-amine (CID 82009794) is 3-(2,2-difluoroethoxy)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-methylcyclobutan-1-amine is CNC1CC(OCC(F)F)C1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-methylcyclobutan-1-amine?
The InChIKey is KJYXNCKQQURWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-10-5-2-6(3-5)11-4-7(8)9/h5-7,10H,2-4H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-methylcyclobutan-1-amine?
3-(2,2-difluoroethoxy)-N-methylcyclobutan-1-amine has a molecular weight of 165.18 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 82009794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).