2,2-difluoro-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine

C8H17F2NO — CID 165462395

IUPAC2,2-difluoro-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
SMILESCNCC(F)(F)COC(C)(C)C
InChIInChI=1S/C8H17F2NO/c1-7(2,3)12-6-8(9,10)5-11-4/h11H,5-6H2,1-4H3
InChIKeyAFWLYYCVOYBHAG-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.66
Rot. Bonds4

About 2,2-difluoro-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine

2,2-difluoro-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine (PubChem CID 165462395) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
PubChem CID165462395
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name2,2-difluoro-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
SMILESCNCC(F)(F)COC(C)(C)C
InChIInChI=1S/C8H17F2NO/c1-7(2,3)12-6-8(9,10)5-11-4/h11H,5-6H2,1-4H3
InChIKeyAFWLYYCVOYBHAG-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The IUPAC name of 2,2-difluoro-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine (CID 165462395) is 2,2-difluoro-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine.
What is the SMILES notation for 2,2-difluoro-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The canonical SMILES for 2,2-difluoro-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine is CNCC(F)(F)COC(C)(C)C.
What is the InChIKey of 2,2-difluoro-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The InChIKey is AFWLYYCVOYBHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-7(2,3)12-6-8(9,10)5-11-4/h11H,5-6H2,1-4H3.
What are the key properties of 2,2-difluoro-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine?
2,2-difluoro-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine has a molecular weight of 181.23 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine is sourced from PubChem (CID 165462395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).