2,3-dimethyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol

C8H16F3NO2 — CID 114493475

IUPAC2,3-dimethyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol
SMILESCC(C)C(C)(O)CNOCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-6(2)7(3,13)4-12-14-5-8(9,10)11/h6,12-13H,4-5H2,1-3H3
InChIKeyJCXAZNCHINCLNC-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.48
Rot. Bonds5

About 2,3-dimethyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol

2,3-dimethyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol (PubChem CID 114493475) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol
PubChem CID114493475
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Name2,3-dimethyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol
SMILESCC(C)C(C)(O)CNOCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-6(2)7(3,13)4-12-14-5-8(9,10)11/h6,12-13H,4-5H2,1-3H3
InChIKeyJCXAZNCHINCLNC-UHFFFAOYSA-N
XLogP1.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2,2,2-Trifluoroethoxyamino)methyl]pentan-3-ol
CID 114493474
2-Methyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol
CID 114493476
1-(Methoxyamino)-2,3-dimethylbutan-2-ol
CID 114398754
1-(Ethoxyamino)-2,3-dimethylbutan-2-ol
CID 114400807
2,3-Dimethyl-1-(2-methylpropoxyamino)butan-2-ol
CID 114493472
2-Methyl-1-(2-methylpropoxyamino)butan-2-ol
CID 114493473
2,3-Dimethyl-1-[(2-methylpropan-2-yl)oxyamino]butan-2-ol
CID 114493481

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol (CID 114493475) is 2,3-dimethyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol is CC(C)C(C)(O)CNOCC(F)(F)F.
What is the InChIKey of 2,3-dimethyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol?
The InChIKey is JCXAZNCHINCLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2/c1-6(2)7(3,13)4-12-14-5-8(9,10)11/h6,12-13H,4-5H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol?
2,3-dimethyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol has a molecular weight of 215.21 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol is sourced from PubChem (CID 114493475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).