N-ethyl-2,2,2-trifluoro-N-(3-hydroxypropyl)acetamide

C7H12F3NO2 — CID 115771235

IUPACN-ethyl-2,2,2-trifluoro-N-(3-hydroxypropyl)acetamide
SMILESCCN(CCCO)C(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-2-11(4-3-5-12)6(13)7(8,9)10/h12H,2-5H2,1H3
InChIKeyJBOAPJGSLGJAMB-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.78
Rot. Bonds4

About N-ethyl-2,2,2-trifluoro-N-(3-hydroxypropyl)acetamide

N-ethyl-2,2,2-trifluoro-N-(3-hydroxypropyl)acetamide (PubChem CID 115771235) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-(3-hydroxypropyl)acetamide
PubChem CID115771235
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC NameN-ethyl-2,2,2-trifluoro-N-(3-hydroxypropyl)acetamide
SMILESCCN(CCCO)C(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-2-11(4-3-5-12)6(13)7(8,9)10/h12H,2-5H2,1H3
InChIKeyJBOAPJGSLGJAMB-UHFFFAOYSA-N
XLogP0.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

N-methyl-N-trifluoroacetyl ethanoloamine
CID 57161818
N-Ethyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 60999971
N-(3-hydroxypropyl)-N-methylacetamide
CID 14280024
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
4-(N-Methyl-trifluoroacetamido)-1-butanol
CID 10512190
N-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide
CID 25029674
2-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 54031663
2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334443

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-(3-hydroxypropyl)acetamide?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-(3-hydroxypropyl)acetamide (CID 115771235) is N-ethyl-2,2,2-trifluoro-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-(3-hydroxypropyl)acetamide is CCN(CCCO)C(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-(3-hydroxypropyl)acetamide?
The InChIKey is JBOAPJGSLGJAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-2-11(4-3-5-12)6(13)7(8,9)10/h12H,2-5H2,1H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-(3-hydroxypropyl)acetamide?
N-ethyl-2,2,2-trifluoro-N-(3-hydroxypropyl)acetamide has a molecular weight of 199.17 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 115771235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).