3-(tert-butylamino)-1,1,1-trifluoro-2-methylpropan-2-ol

C8H16F3NO — CID 80559064

IUPAC3-(tert-butylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCC(C)(C)NCC(C)(O)C(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-6(2,3)12-5-7(4,13)8(9,10)11/h12-13H,5H2,1-4H3
InChIKeyBRKPMBKTOAFIDN-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.69
Rot. Bonds2

About 3-(tert-butylamino)-1,1,1-trifluoro-2-methylpropan-2-ol

3-(tert-butylamino)-1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 80559064) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-(tert-butylamino)-1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name3-(tert-butylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
PubChem CID80559064
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name3-(tert-butylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCC(C)(C)NCC(C)(O)C(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-6(2,3)12-5-7(4,13)8(9,10)11/h12-13H,5H2,1-4H3
InChIKeyBRKPMBKTOAFIDN-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-1,1,1-trifluoro-2-methylpropan-2-ol?
The IUPAC name of 3-(tert-butylamino)-1,1,1-trifluoro-2-methylpropan-2-ol (CID 80559064) is 3-(tert-butylamino)-1,1,1-trifluoro-2-methylpropan-2-ol.
What is the SMILES notation for 3-(tert-butylamino)-1,1,1-trifluoro-2-methylpropan-2-ol?
The canonical SMILES for 3-(tert-butylamino)-1,1,1-trifluoro-2-methylpropan-2-ol is CC(C)(C)NCC(C)(O)C(F)(F)F.
What is the InChIKey of 3-(tert-butylamino)-1,1,1-trifluoro-2-methylpropan-2-ol?
The InChIKey is BRKPMBKTOAFIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-6(2,3)12-5-7(4,13)8(9,10)11/h12-13H,5H2,1-4H3.
What are the key properties of 3-(tert-butylamino)-1,1,1-trifluoro-2-methylpropan-2-ol?
3-(tert-butylamino)-1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 199.22 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 80559064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).