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

C8H14F3NO2 — CID 112634243

IUPAC2,2-dimethyl-3-(2,2,2-trifluoroethoxyamino)cyclobutan-1-ol
SMILESCC1(C)C(O)CC1NOCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-7(2)5(3-6(7)13)12-14-4-8(9,10)11/h5-6,12-13H,3-4H2,1-2H3
InChIKeySEXWHHVNNXDKMW-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.23
Rot. Bonds3

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

2,2-dimethyl-3-(2,2,2-trifluoroethoxyamino)cyclobutan-1-ol (PubChem CID 112634243) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2,2,2-trifluoroethoxyamino)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(2,2,2-trifluoroethoxyamino)cyclobutan-1-ol
PubChem CID112634243
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2,2-dimethyl-3-(2,2,2-trifluoroethoxyamino)cyclobutan-1-ol
SMILESCC1(C)C(O)CC1NOCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-7(2)5(3-6(7)13)12-14-4-8(9,10)11/h5-6,12-13H,3-4H2,1-2H3
InChIKeySEXWHHVNNXDKMW-UHFFFAOYSA-N
XLogP1.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
CID 82710768
2,2-dimethyl-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
CID 82712250
2,2-Dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)cyclobutan-1-ol
CID 114809878
3-(Hydroxyamino)-2,2-dimethylcyclobutan-1-ol
CID 112634236
3-(Methoxyamino)-2,2-dimethylcyclobutan-1-ol
CID 112634239
3-(Ethoxyamino)-2,2-dimethylcyclobutan-1-ol
CID 112634240
2,2-Dimethyl-3-(2-methylpropoxyamino)cyclobutan-1-ol
CID 112634242
3-(2-Methoxyethoxyamino)-2,2-dimethylcyclobutan-1-ol
CID 112634244
2,2-Dimethyl-3-[(2-methylpropan-2-yl)oxyamino]cyclobutan-1-ol
CID 112634245
3-(Cyclopentyloxyamino)-2,2-dimethylcyclobutan-1-ol
CID 112634274
2,2-Dimethyl-3-(prop-2-ynoxyamino)cyclobutan-1-ol
CID 130645510

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2,2,2-trifluoroethoxyamino)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(2,2,2-trifluoroethoxyamino)cyclobutan-1-ol (CID 112634243) is 2,2-dimethyl-3-(2,2,2-trifluoroethoxyamino)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(2,2,2-trifluoroethoxyamino)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(2,2,2-trifluoroethoxyamino)cyclobutan-1-ol is CC1(C)C(O)CC1NOCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-3-(2,2,2-trifluoroethoxyamino)cyclobutan-1-ol?
The InChIKey is SEXWHHVNNXDKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-7(2)5(3-6(7)13)12-14-4-8(9,10)11/h5-6,12-13H,3-4H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(2,2,2-trifluoroethoxyamino)cyclobutan-1-ol?
2,2-dimethyl-3-(2,2,2-trifluoroethoxyamino)cyclobutan-1-ol has a molecular weight of 213.20 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2,2,2-trifluoroethoxyamino)cyclobutan-1-ol is sourced from PubChem (CID 112634243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).