N-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide

C10H18F3NO3 — CID 107483398

IUPACN-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCOCCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-2-6-17-7-3-9(16)14(4-5-15)8-10(11,12)13/h15H,2-8H2,1H3
InChIKeyLSTCJVCVSZXBLV-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.19
Rot. Bonds8

About N-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide

N-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 107483398) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID107483398
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC NameN-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCOCCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-2-6-17-7-3-9(16)14(4-5-15)8-10(11,12)13/h15H,2-8H2,1H3
InChIKeyLSTCJVCVSZXBLV-UHFFFAOYSA-N
XLogP1.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.19
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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Related Compounds

N-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103857530
4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 79203920
N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79204341
N-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide
CID 113227401
2-(2-aminoethoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79474134
3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 61115959
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 107492053
N-(2-hydroxyethyl)-3-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 103915390
methyl 3-[butanoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60794156
N-(2-aminoethyl)-N-ethyl-3-propoxypropanamide
CID 62688574
2-[(2-propoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107938155
N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106612458

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide (CID 107483398) is N-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide is CCCOCCC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is LSTCJVCVSZXBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-2-6-17-7-3-9(16)14(4-5-15)8-10(11,12)13/h15H,2-8H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide?
N-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 257.25 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 107483398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).