3-(2,2-difluoroethoxy)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide

C12H23F2NO3 — CID 103526832

IUPAC3-(2,2-difluoroethoxy)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
SMILESCC(C)(CCCO)CNC(=O)CCOCC(F)F
InChIInChI=1S/C12H23F2NO3/c1-12(2,5-3-6-16)9-15-11(17)4-7-18-8-10(13)14/h10,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyLJEWIFJYQUZTLT-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.57
Rot. Bonds10

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

3-(2,2-difluoroethoxy)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide (PubChem CID 103526832) has the molecular formula C12H23F2NO3 and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
PubChem CID103526832
Molecular FormulaC12H23F2NO3
Molecular Weight267.32 g/mol
Exact Mass267.16
IUPAC Name3-(2,2-difluoroethoxy)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
SMILESCC(C)(CCCO)CNC(=O)CCOCC(F)F
InChIInChI=1S/C12H23F2NO3/c1-12(2,5-3-6-16)9-15-11(17)4-7-18-8-10(13)14/h10,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyLJEWIFJYQUZTLT-UHFFFAOYSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.57
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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Related Compounds

N-(5-hydroxy-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103899562
3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 106146044
N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybutanamide
CID 103899565
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148312
2-amino-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148100
N-(4-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
CID 106129994
3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide
CID 103211866
N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212347
N-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
CID 107320973
2-[[3-(2,2-difluoroethoxy)propanoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107473822
ethyl 4-[3-(2,2-difluoroethoxy)propanoylamino]butanoate
CID 103209827
N-(2-chloroprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208987

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide (CID 103526832) is 3-(2,2-difluoroethoxy)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide is CC(C)(CCCO)CNC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide?
The InChIKey is LJEWIFJYQUZTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO3/c1-12(2,5-3-6-16)9-15-11(17)4-7-18-8-10(13)14/h10,16H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide?
3-(2,2-difluoroethoxy)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide has a molecular weight of 267.32 g/mol, XLogP of 1.57, 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-2,2-dimethylpentyl)propanamide is sourced from PubChem (CID 103526832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).