N-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide

C8H14F3NO2 — CID 61448362

IUPACN-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
SMILESCCCCN(CCO)C(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-2-3-4-12(5-6-13)7(14)8(9,10)11/h13H,2-6H2,1H3
InChIKeyDJDXLLNCMCVMIM-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.17
Rot. Bonds5

About N-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide

N-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide (PubChem CID 61448362) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is N-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
PubChem CID61448362
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC NameN-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
SMILESCCCCN(CCO)C(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-2-3-4-12(5-6-13)7(14)8(9,10)11/h13H,2-6H2,1H3
InChIKeyDJDXLLNCMCVMIM-UHFFFAOYSA-N
XLogP1.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide (CID 61448362) is N-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide is CCCCN(CCO)C(=O)C(F)(F)F.
What is the InChIKey of N-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide?
The InChIKey is DJDXLLNCMCVMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-2-3-4-12(5-6-13)7(14)8(9,10)11/h13H,2-6H2,1H3.
What are the key properties of N-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide?
N-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide has a molecular weight of 213.20 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 61448362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).