3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine

C8H16F3NO — CID 84733666

IUPAC3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine
SMILESCC(C)(C)OCC(CN)C(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,3)13-5-6(4-12)8(9,10)11/h6H,4-5,12H2,1-3H3
InChIKeyJYBSSACMRFVMAP-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.94
Rot. Bonds3

About 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine

3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine (PubChem CID 84733666) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine
PubChem CID84733666
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine
SMILESCC(C)(C)OCC(CN)C(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,3)13-5-6(4-12)8(9,10)11/h6H,4-5,12H2,1-3H3
InChIKeyJYBSSACMRFVMAP-UHFFFAOYSA-N
XLogP1.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-(Tert-butoxy)-2-fluoropropan-1-amine
CID 83853882
3-(Tert-butoxy)-2,2-difluoropropan-1-amine
CID 117970575
3-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-1-amine
CID 123327372
3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 129140799
[3-(Tert-butoxy)-2,2-difluoropropyl](ethyl)amine
CID 134579816
2,2-Difluoro-3-(2-methylpropoxy)propan-1-amine
CID 138478658
(2S)-2-fluoro-3-(2-methylpropoxy)propan-1-amine
CID 138478737
(2R)-2-fluoro-3-(2-methylpropoxy)propan-1-amine
CID 138478739
3,3,3-Trifluoro-2-(1,1,1,2-tetrafluoropropan-2-yloxymethyl)propan-1-amine
CID 157611546
3,3,3-Trifluoro-2-[(1,1,1,2,3,3-hexafluoro-3-methoxypropan-2-yl)oxymethyl]propan-1-amine
CID 157611549
3,3-difluoro-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-1-amine
CID 162476714
2-Fluoro-3-methyl-3-propoxybutan-1-amine
CID 170082931

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine (CID 84733666) is 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine is CC(C)(C)OCC(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine?
The InChIKey is JYBSSACMRFVMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(2,3)13-5-6(4-12)8(9,10)11/h6H,4-5,12H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine?
3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine has a molecular weight of 199.22 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine is sourced from PubChem (CID 84733666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).