3,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butan-2-amine

C8H17F2NO — CID 170585004

IUPAC3,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCC(C)(C)OCC(N)C(C)(F)F
InChIInChI=1S/C8H17F2NO/c1-7(2,3)12-5-6(11)8(4,9)10/h6H,5,11H2,1-4H3
InChIKeyAFNWZHXYYYXHJX-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.78
Rot. Bonds3

About 3,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butan-2-amine

3,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butan-2-amine (PubChem CID 170585004) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 3,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butan-2-amine.

Molecular Properties

Compound Name3,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
PubChem CID170585004
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name3,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCC(C)(C)OCC(N)C(C)(F)F
InChIInChI=1S/C8H17F2NO/c1-7(2,3)12-5-6(11)8(4,9)10/h6H,5,11H2,1-4H3
InChIKeyAFNWZHXYYYXHJX-UHFFFAOYSA-N
XLogP1.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The IUPAC name of 3,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butan-2-amine (CID 170585004) is 3,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butan-2-amine.
What is the SMILES notation for 3,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The canonical SMILES for 3,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butan-2-amine is CC(C)(C)OCC(N)C(C)(F)F.
What is the InChIKey of 3,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The InChIKey is AFNWZHXYYYXHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-7(2,3)12-5-6(11)8(4,9)10/h6H,5,11H2,1-4H3.
What are the key properties of 3,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
3,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butan-2-amine has a molecular weight of 181.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[(2-methylpropan-2-yl)oxy]butan-2-amine is sourced from PubChem (CID 170585004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).