3-(2,2-difluoroethoxy)-N-(5-hydroxy-4-methylpentyl)propanamide

C11H21F2NO3 — CID 103526409

IUPAC3-(2,2-difluoroethoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
SMILESCC(CO)CCCNC(=O)CCOCC(F)F
InChIInChI=1S/C11H21F2NO3/c1-9(7-15)3-2-5-14-11(16)4-6-17-8-10(12)13/h9-10,15H,2-8H2,1H3,(H,14,16)
InChIKeyZVKAATROTMKRLO-UHFFFAOYSA-N
MW253.29 g/mol
LogP1.18
Rot. Bonds10

About 3-(2,2-difluoroethoxy)-N-(5-hydroxy-4-methylpentyl)propanamide

3-(2,2-difluoroethoxy)-N-(5-hydroxy-4-methylpentyl)propanamide (PubChem CID 103526409) has the molecular formula C11H21F2NO3 and a molecular weight of 253.29 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(5-hydroxy-4-methylpentyl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
PubChem CID103526409
Molecular FormulaC11H21F2NO3
Molecular Weight253.29 g/mol
Exact Mass253.15
IUPAC Name3-(2,2-difluoroethoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
SMILESCC(CO)CCCNC(=O)CCOCC(F)F
InChIInChI=1S/C11H21F2NO3/c1-9(7-15)3-2-5-14-11(16)4-6-17-8-10(12)13/h9-10,15H,2-8H2,1H3,(H,14,16)
InChIKeyZVKAATROTMKRLO-UHFFFAOYSA-N
XLogP1.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 51.18
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 3-(2,2-difluoroethoxy)-N-(5-hydroxy-4-methylpentyl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(5-hydroxy-4-methylpentyl)propanamide (CID 103526409) is 3-(2,2-difluoroethoxy)-N-(5-hydroxy-4-methylpentyl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(5-hydroxy-4-methylpentyl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(5-hydroxy-4-methylpentyl)propanamide is CC(CO)CCCNC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(5-hydroxy-4-methylpentyl)propanamide?
The InChIKey is ZVKAATROTMKRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO3/c1-9(7-15)3-2-5-14-11(16)4-6-17-8-10(12)13/h9-10,15H,2-8H2,1H3,(H,14,16).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(5-hydroxy-4-methylpentyl)propanamide?
3-(2,2-difluoroethoxy)-N-(5-hydroxy-4-methylpentyl)propanamide has a molecular weight of 253.29 g/mol, XLogP of 1.18, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(5-hydroxy-4-methylpentyl)propanamide is sourced from PubChem (CID 103526409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).