N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-methylpropoxy)propanamide

C11H21F2NO3 — CID 100629308

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H21F2NO3/c1-9(2)8-17-6-3-11(16)14(4-5-15)7-10(12)13/h9-10,15H,3-8H2,1-2H3
InChIKeyLSTBEULEYDQKRM-UHFFFAOYSA-N
MW253.29 g/mol
LogP1.14
Rot. Bonds9

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-methylpropoxy)propanamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-methylpropoxy)propanamide (PubChem CID 100629308) has the molecular formula C11H21F2NO3 and a molecular weight of 253.29 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-methylpropoxy)propanamide
PubChem CID100629308
Molecular FormulaC11H21F2NO3
Molecular Weight253.29 g/mol
Exact Mass253.15
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H21F2NO3/c1-9(2)8-17-6-3-11(16)14(4-5-15)7-10(12)13/h9-10,15H,3-8H2,1-2H3
InChIKeyLSTBEULEYDQKRM-UHFFFAOYSA-N
XLogP1.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 51.14
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-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-methylpropoxy)propanamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-methylpropoxy)propanamide (CID 100629308) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-methylpropoxy)propanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-methylpropoxy)propanamide is CC(C)COCCC(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-methylpropoxy)propanamide?
The InChIKey is LSTBEULEYDQKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO3/c1-9(2)8-17-6-3-11(16)14(4-5-15)7-10(12)13/h9-10,15H,3-8H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-methylpropoxy)propanamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-methylpropoxy)propanamide has a molecular weight of 253.29 g/mol, XLogP of 1.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-methylpropoxy)propanamide is sourced from PubChem (CID 100629308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).