N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-N-propylpropanamide

C11H18F3NO2 — CID 123264265

IUPACN-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-N-propylpropanamide
SMILESCCCN(C(=O)CC)C1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c1-3-5-15(9(16)4-2)8-6-10(17,7-8)11(12,13)14/h8,17H,3-7H2,1-2H3
InChIKeyYGWCJMZXFUVGKH-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.09
Rot. Bonds4

About N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-N-propylpropanamide

N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-N-propylpropanamide (PubChem CID 123264265) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-N-propylpropanamide.

Molecular Properties

Compound NameN-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-N-propylpropanamide
PubChem CID123264265
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC NameN-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-N-propylpropanamide
SMILESCCCN(C(=O)CC)C1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c1-3-5-15(9(16)4-2)8-6-10(17,7-8)11(12,13)14/h8,17H,3-7H2,1-2H3
InChIKeyYGWCJMZXFUVGKH-UHFFFAOYSA-N
XLogP2.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-N-propylpropanamide?
The IUPAC name of N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-N-propylpropanamide (CID 123264265) is N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-N-propylpropanamide.
What is the SMILES notation for N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-N-propylpropanamide?
The canonical SMILES for N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-N-propylpropanamide is CCCN(C(=O)CC)C1CC(O)(C(F)(F)F)C1.
What is the InChIKey of N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-N-propylpropanamide?
The InChIKey is YGWCJMZXFUVGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-3-5-15(9(16)4-2)8-6-10(17,7-8)11(12,13)14/h8,17H,3-7H2,1-2H3.
What are the key properties of N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-N-propylpropanamide?
N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-N-propylpropanamide has a molecular weight of 253.26 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-N-propylpropanamide is sourced from PubChem (CID 123264265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).