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

C9H16F3NO3 — CID 103855571

IUPACN-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCN(CCCO)C(=O)COCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-2-13(4-3-5-14)8(15)6-16-7-9(10,11)12/h14H,2-7H2,1H3
InChIKeyIGRVYGBKTBUVLF-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.80
Rot. Bonds7

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

N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103855571) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103855571
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCN(CCCO)C(=O)COCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-2-13(4-3-5-14)8(15)6-16-7-9(10,11)12/h14H,2-7H2,1H3
InChIKeyIGRVYGBKTBUVLF-UHFFFAOYSA-N
XLogP0.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103855571) is N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide is CCN(CCCO)C(=O)COCC(F)(F)F.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is IGRVYGBKTBUVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-2-13(4-3-5-14)8(15)6-16-7-9(10,11)12/h14H,2-7H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 243.22 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103855571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).