N-(2-hydroxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethoxy)acetamide

C11H20F3NO3 — CID 103209035

IUPACN-(2-hydroxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC(CC)N(CCO)C(=O)COCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-3-9(4-2)15(5-6-16)10(17)7-18-8-11(12,13)14/h9,16H,3-8H2,1-2H3
InChIKeyUQJNLPDDBOROHG-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.57
Rot. Bonds8

About N-(2-hydroxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-hydroxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103209035) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103209035
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC NameN-(2-hydroxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC(CC)N(CCO)C(=O)COCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-3-9(4-2)15(5-6-16)10(17)7-18-8-11(12,13)14/h9,16H,3-8H2,1-2H3
InChIKeyUQJNLPDDBOROHG-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethoxy)acetamide (CID 103209035) is N-(2-hydroxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethoxy)acetamide is CCC(CC)N(CCO)C(=O)COCC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is UQJNLPDDBOROHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-3-9(4-2)15(5-6-16)10(17)7-18-8-11(12,13)14/h9,16H,3-8H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-hydroxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 271.28 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103209035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).