3-(tert-butylamino)-1-(trifluoromethyl)cyclobutan-1-ol

C9H16F3NO — CID 134166297

IUPAC3-(tert-butylamino)-1-(trifluoromethyl)cyclobutan-1-ol
SMILESCC(C)(C)NC1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-7(2,3)13-6-4-8(14,5-6)9(10,11)12/h6,13-14H,4-5H2,1-3H3
InChIKeyWCWXWOVBIFGQAR-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.83
Rot. Bonds1

About 3-(tert-butylamino)-1-(trifluoromethyl)cyclobutan-1-ol

3-(tert-butylamino)-1-(trifluoromethyl)cyclobutan-1-ol (PubChem CID 134166297) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-(tert-butylamino)-1-(trifluoromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(tert-butylamino)-1-(trifluoromethyl)cyclobutan-1-ol
PubChem CID134166297
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-(tert-butylamino)-1-(trifluoromethyl)cyclobutan-1-ol
SMILESCC(C)(C)NC1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-7(2,3)13-6-4-8(14,5-6)9(10,11)12/h6,13-14H,4-5H2,1-3H3
InChIKeyWCWXWOVBIFGQAR-UHFFFAOYSA-N
XLogP1.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.83
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-(trifluoromethyl)cyclobutan-1-ol?
The IUPAC name of 3-(tert-butylamino)-1-(trifluoromethyl)cyclobutan-1-ol (CID 134166297) is 3-(tert-butylamino)-1-(trifluoromethyl)cyclobutan-1-ol.
What is the SMILES notation for 3-(tert-butylamino)-1-(trifluoromethyl)cyclobutan-1-ol?
The canonical SMILES for 3-(tert-butylamino)-1-(trifluoromethyl)cyclobutan-1-ol is CC(C)(C)NC1CC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-(tert-butylamino)-1-(trifluoromethyl)cyclobutan-1-ol?
The InChIKey is WCWXWOVBIFGQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7(2,3)13-6-4-8(14,5-6)9(10,11)12/h6,13-14H,4-5H2,1-3H3.
What are the key properties of 3-(tert-butylamino)-1-(trifluoromethyl)cyclobutan-1-ol?
3-(tert-butylamino)-1-(trifluoromethyl)cyclobutan-1-ol has a molecular weight of 211.23 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-1-(trifluoromethyl)cyclobutan-1-ol is sourced from PubChem (CID 134166297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).