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

C10H16F3NO3 — CID 43577193

IUPACN-cyclopropyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)N(CCO)C1CC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-17-6-3-9(16)14(4-5-15)8-1-2-8/h8,15H,1-7H2
InChIKeyBDKNALAALLCBHO-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.94
Rot. Bonds7

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

N-cyclopropyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 43577193) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID43577193
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC NameN-cyclopropyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)N(CCO)C1CC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-17-6-3-9(16)14(4-5-15)8-1-2-8/h8,15H,1-7H2
InChIKeyBDKNALAALLCBHO-UHFFFAOYSA-N
XLogP0.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
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-cyclopropyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 43577193) is N-cyclopropyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-cyclopropyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-cyclopropyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)N(CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is BDKNALAALLCBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)7-17-6-3-9(16)14(4-5-15)8-1-2-8/h8,15H,1-7H2.
What are the key properties of N-cyclopropyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-cyclopropyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 255.24 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 43577193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).