3-cyclobutyl-3-(difluoromethoxy)-N-methylpropan-1-amine

C9H17F2NO — CID 84720004

IUPAC3-cyclobutyl-3-(difluoromethoxy)-N-methylpropan-1-amine
SMILESCNCCC(OC(F)F)C1CCC1
InChIInChI=1S/C9H17F2NO/c1-12-6-5-8(13-9(10)11)7-3-2-4-7/h7-9,12H,2-6H2,1H3
InChIKeyOBQXZSXGISXRAW-UHFFFAOYSA-N
MW193.24 g/mol
LogP2.00
Rot. Bonds6

About 3-cyclobutyl-3-(difluoromethoxy)-N-methylpropan-1-amine

3-cyclobutyl-3-(difluoromethoxy)-N-methylpropan-1-amine (PubChem CID 84720004) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 3-cyclobutyl-3-(difluoromethoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-cyclobutyl-3-(difluoromethoxy)-N-methylpropan-1-amine
PubChem CID84720004
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name3-cyclobutyl-3-(difluoromethoxy)-N-methylpropan-1-amine
SMILESCNCCC(OC(F)F)C1CCC1
InChIInChI=1S/C9H17F2NO/c1-12-6-5-8(13-9(10)11)7-3-2-4-7/h7-9,12H,2-6H2,1H3
InChIKeyOBQXZSXGISXRAW-UHFFFAOYSA-N
XLogP2.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-3-(difluoromethoxy)-N-methylpropan-1-amine?
The IUPAC name of 3-cyclobutyl-3-(difluoromethoxy)-N-methylpropan-1-amine (CID 84720004) is 3-cyclobutyl-3-(difluoromethoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 3-cyclobutyl-3-(difluoromethoxy)-N-methylpropan-1-amine?
The canonical SMILES for 3-cyclobutyl-3-(difluoromethoxy)-N-methylpropan-1-amine is CNCCC(OC(F)F)C1CCC1.
What is the InChIKey of 3-cyclobutyl-3-(difluoromethoxy)-N-methylpropan-1-amine?
The InChIKey is OBQXZSXGISXRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-12-6-5-8(13-9(10)11)7-3-2-4-7/h7-9,12H,2-6H2,1H3.
What are the key properties of 3-cyclobutyl-3-(difluoromethoxy)-N-methylpropan-1-amine?
3-cyclobutyl-3-(difluoromethoxy)-N-methylpropan-1-amine has a molecular weight of 193.24 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-3-(difluoromethoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 84720004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).