N-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide

C11H20F3NO2 — CID 79204493

IUPACN-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCCN(CC(F)(F)F)C(=O)CCC(C)O
InChIInChI=1S/C11H20F3NO2/c1-3-4-7-15(8-11(12,13)14)10(17)6-5-9(2)16/h9,16H,3-8H2,1-2H3
InChIKeyVKMLZXMIJLTAGQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.34
Rot. Bonds7

About N-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide

N-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 79204493) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound NameN-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID79204493
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCCN(CC(F)(F)F)C(=O)CCC(C)O
InChIInChI=1S/C11H20F3NO2/c1-3-4-7-15(8-11(12,13)14)10(17)6-5-9(2)16/h9,16H,3-8H2,1-2H3
InChIKeyVKMLZXMIJLTAGQ-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of N-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide (CID 79204493) is N-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for N-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for N-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide is CCCCN(CC(F)(F)F)C(=O)CCC(C)O.
What is the InChIKey of N-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is VKMLZXMIJLTAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-3-4-7-15(8-11(12,13)14)10(17)6-5-9(2)16/h9,16H,3-8H2,1-2H3.
What are the key properties of N-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide?
N-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 255.28 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 79204493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).