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

C8H14F3NO3 — CID 43418185

IUPACN-(2-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(O)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-6(13)4-12-7(14)2-3-15-5-8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14)
InChIKeyAMQJILJPNVNVNE-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.45
Rot. Bonds6

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

N-(2-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 43418185) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID43418185
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC NameN-(2-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(O)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-6(13)4-12-7(14)2-3-15-5-8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14)
InChIKeyAMQJILJPNVNVNE-UHFFFAOYSA-N
XLogP0.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.45
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-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 43418185) is N-(2-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide is CC(O)CNC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(2-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is AMQJILJPNVNVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-6(13)4-12-7(14)2-3-15-5-8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14).
What are the key properties of N-(2-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 229.20 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 43418185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).