3,3,3-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide

C8H14F3NO2 — CID 43573113

IUPAC3,3,3-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCO)C(=O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6(2)12(3-4-13)7(14)5-8(9,10)11/h6,13H,3-5H2,1-2H3
InChIKeyLCPLMOBLXSUXQE-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.17
Rot. Bonds4

About 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide

3,3,3-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide (PubChem CID 43573113) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
PubChem CID43573113
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name3,3,3-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCO)C(=O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6(2)12(3-4-13)7(14)5-8(9,10)11/h6,13H,3-5H2,1-2H3
InChIKeyLCPLMOBLXSUXQE-UHFFFAOYSA-N
XLogP1.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

N-methyl-N-trifluoroacetyl ethanoloamine
CID 57161818
N-Ethyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 60999971
2,2,3,3,4,4,4-Heptafluoro-N-(2-hydroxyethyl)-N-methylbutanamide
CID 91737616
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-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 53865318
2-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 54031663
N-(2,2-difluoropropyl)-N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 59440884
2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334443

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide (CID 43573113) is 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide is CC(C)N(CCO)C(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide?
The InChIKey is LCPLMOBLXSUXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-6(2)12(3-4-13)7(14)5-8(9,10)11/h6,13H,3-5H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide?
3,3,3-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide has a molecular weight of 213.20 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 43573113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).