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

C8H14F3NO3 — CID 43417534

IUPACN-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCCCO
InChIInChI=1S/C8H14F3NO3/c9-8(10,11)6-15-5-2-7(14)12-3-1-4-13/h13H,1-6H2,(H,12,14)
InChIKeyPQYFDTSIGAHAAO-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.45
Rot. Bonds7

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

N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 43417534) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID43417534
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC NameN-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCCCO
InChIInChI=1S/C8H14F3NO3/c9-8(10,11)6-15-5-2-7(14)12-3-1-4-13/h13H,1-6H2,(H,12,14)
InChIKeyPQYFDTSIGAHAAO-UHFFFAOYSA-N
XLogP0.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 43417534) is N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is PQYFDTSIGAHAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c9-8(10,11)6-15-5-2-7(14)12-3-1-4-13/h13H,1-6H2,(H,12,14).
What are the key properties of N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 229.20 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 43417534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).