3-(2-methylpentan-2-ylamino)-1-(trifluoromethyl)cyclobutan-1-ol

C11H20F3NO — CID 138581103

IUPAC3-(2-methylpentan-2-ylamino)-1-(trifluoromethyl)cyclobutan-1-ol
SMILESCCCC(C)(C)NC1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-4-5-9(2,3)15-8-6-10(16,7-8)11(12,13)14/h8,15-16H,4-7H2,1-3H3
InChIKeyHLEWUXVXMBEGBP-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.61
Rot. Bonds4

About 3-(2-methylpentan-2-ylamino)-1-(trifluoromethyl)cyclobutan-1-ol

3-(2-methylpentan-2-ylamino)-1-(trifluoromethyl)cyclobutan-1-ol (PubChem CID 138581103) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-(2-methylpentan-2-ylamino)-1-(trifluoromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(2-methylpentan-2-ylamino)-1-(trifluoromethyl)cyclobutan-1-ol
PubChem CID138581103
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3-(2-methylpentan-2-ylamino)-1-(trifluoromethyl)cyclobutan-1-ol
SMILESCCCC(C)(C)NC1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-4-5-9(2,3)15-8-6-10(16,7-8)11(12,13)14/h8,15-16H,4-7H2,1-3H3
InChIKeyHLEWUXVXMBEGBP-UHFFFAOYSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentan-2-ylamino)-1-(trifluoromethyl)cyclobutan-1-ol?
The IUPAC name of 3-(2-methylpentan-2-ylamino)-1-(trifluoromethyl)cyclobutan-1-ol (CID 138581103) is 3-(2-methylpentan-2-ylamino)-1-(trifluoromethyl)cyclobutan-1-ol.
What is the SMILES notation for 3-(2-methylpentan-2-ylamino)-1-(trifluoromethyl)cyclobutan-1-ol?
The canonical SMILES for 3-(2-methylpentan-2-ylamino)-1-(trifluoromethyl)cyclobutan-1-ol is CCCC(C)(C)NC1CC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-(2-methylpentan-2-ylamino)-1-(trifluoromethyl)cyclobutan-1-ol?
The InChIKey is HLEWUXVXMBEGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-4-5-9(2,3)15-8-6-10(16,7-8)11(12,13)14/h8,15-16H,4-7H2,1-3H3.
What are the key properties of 3-(2-methylpentan-2-ylamino)-1-(trifluoromethyl)cyclobutan-1-ol?
3-(2-methylpentan-2-ylamino)-1-(trifluoromethyl)cyclobutan-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentan-2-ylamino)-1-(trifluoromethyl)cyclobutan-1-ol is sourced from PubChem (CID 138581103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).