N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide

C7H12F3NO3 — CID 43417434

IUPACN-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCCO
InChIInChI=1S/C7H12F3NO3/c8-7(9,10)5-14-4-1-6(13)11-2-3-12/h12H,1-5H2,(H,11,13)
InChIKeyJMZYZRQPTWAMMB-UHFFFAOYSA-N
MW215.17 g/mol
LogP0.06
Rot. Bonds6

About N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 43417434) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID43417434
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC NameN-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCCO
InChIInChI=1S/C7H12F3NO3/c8-7(9,10)5-14-4-1-6(13)11-2-3-12/h12H,1-5H2,(H,11,13)
InChIKeyJMZYZRQPTWAMMB-UHFFFAOYSA-N
XLogP0.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 43417434) is N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is JMZYZRQPTWAMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3/c8-7(9,10)5-14-4-1-6(13)11-2-3-12/h12H,1-5H2,(H,11,13).
What are the key properties of N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 215.17 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 43417434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).