2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylacetamide

C7H12F3NO2 — CID 60999864

IUPAC2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-5(2)11(3-4-12)6(13)7(8,9)10/h5,12H,3-4H2,1-2H3
InChIKeyCMOVAZQERXBBNW-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.78
Rot. Bonds3

About 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylacetamide

2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylacetamide (PubChem CID 60999864) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
PubChem CID60999864
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-5(2)11(3-4-12)6(13)7(8,9)10/h5,12H,3-4H2,1-2H3
InChIKeyCMOVAZQERXBBNW-UHFFFAOYSA-N
XLogP0.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Acetamide, 2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-methylethyl]-
CID 13774518
N-methyl-N-trifluoroacetyl ethanoloamine
CID 57161818
N-Ethyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 60999971
2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propylacetamide
CID 61424901
N-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 61448362
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 64590692
2,2,3,3,3-Pentafluoro-N-(2-hydroxyethyl)-N-methylpropanamide
CID 91730500
N-Ethyl-2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)propanamide
CID 91733399
2,2,2-trifluoro-N,N-bis(2-hydroxyethyl)acetamide
CID 1925938
N-(2,2,2-trifluoroethyl)-N-methyl-hydroxyacetic acid amide
CID 13090851
2,2,2-Trifluoro-N-(1-hydroxypropan-2-yl)acetamide
CID 13774517
N-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide
CID 25029674

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylacetamide (CID 60999864) is 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylacetamide is CC(C)N(CCO)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The InChIKey is CMOVAZQERXBBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-5(2)11(3-4-12)6(13)7(8,9)10/h5,12H,3-4H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylacetamide has a molecular weight of 199.17 g/mol, XLogP of 0.78, 3 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-propan-2-ylacetamide is sourced from PubChem (CID 60999864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).