2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(3-methylbut-2-enyl)acetamide

C9H14F3NO2 — CID 86081344

IUPAC2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(3-methylbut-2-enyl)acetamide
SMILESCC(C)=CCN(CCO)C(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-7(2)3-4-13(5-6-14)8(15)9(10,11)12/h3,14H,4-6H2,1-2H3
InChIKeyFLTSROWVUACRSY-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.34
Rot. Bonds4

About 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(3-methylbut-2-enyl)acetamide

2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(3-methylbut-2-enyl)acetamide (PubChem CID 86081344) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(3-methylbut-2-enyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(3-methylbut-2-enyl)acetamide
PubChem CID86081344
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(3-methylbut-2-enyl)acetamide
SMILESCC(C)=CCN(CCO)C(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-7(2)3-4-13(5-6-14)8(15)9(10,11)12/h3,14H,4-6H2,1-2H3
InChIKeyFLTSROWVUACRSY-UHFFFAOYSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(R)-2-hydroxyethyl-prop-2-enoyl-prop-2-enyl-(2,2,2-trifluoroethyl)azanium
CID 89176264
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)but-2-enamide
CID 80280193
3,3,3-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)propanamide
CID 103310237
2,2-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 103513998
N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-enamide
CID 103857548
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)hexa-2,4-dienamide
CID 103915498
(E)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)but-2-enamide
CID 107479053
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)hexa-2,4-dienamide
CID 107482548
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbut-2-enamide
CID 107483154
3,3,3-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 115776019
2,2,2-trifluoro-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 115776028
N-(2-hydroxyethyl)-N-(2-methylprop-2-enyl)acetamide
CID 59076007

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(3-methylbut-2-enyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(3-methylbut-2-enyl)acetamide (CID 86081344) is 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(3-methylbut-2-enyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(3-methylbut-2-enyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(3-methylbut-2-enyl)acetamide is CC(C)=CCN(CCO)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(3-methylbut-2-enyl)acetamide?
The InChIKey is FLTSROWVUACRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-7(2)3-4-13(5-6-14)8(15)9(10,11)12/h3,14H,4-6H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(3-methylbut-2-enyl)acetamide?
2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(3-methylbut-2-enyl)acetamide has a molecular weight of 225.21 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(3-methylbut-2-enyl)acetamide is sourced from PubChem (CID 86081344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).