3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide

C11H21F2NO3 — CID 103209026

IUPAC3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
SMILESCC(C)CC(CO)NC(=O)CCOCC(F)F
InChIInChI=1S/C11H21F2NO3/c1-8(2)5-9(6-15)14-11(16)3-4-17-7-10(12)13/h8-10,15H,3-7H2,1-2H3,(H,14,16)
InChIKeyNWAKIYNPUKHFSC-UHFFFAOYSA-N
MW253.29 g/mol
LogP1.18
Rot. Bonds9

About 3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide

3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide (PubChem CID 103209026) has the molecular formula C11H21F2NO3 and a molecular weight of 253.29 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
PubChem CID103209026
Molecular FormulaC11H21F2NO3
Molecular Weight253.29 g/mol
Exact Mass253.15
IUPAC Name3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
SMILESCC(C)CC(CO)NC(=O)CCOCC(F)F
InChIInChI=1S/C11H21F2NO3/c1-8(2)5-9(6-15)14-11(16)3-4-17-7-10(12)13/h8-10,15H,3-7H2,1-2H3,(H,14,16)
InChIKeyNWAKIYNPUKHFSC-UHFFFAOYSA-N
XLogP1.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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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Related Compounds

2,2,2-trifluoro-N-[(2s,3s)-1-hydroxy-3-methylpentan-2-yl]-acetamide
CID 129774022
2,2,2-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246688
(R)-2,2,2-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 86622344
2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide
CID 87841020
2-methyl-N-[(2S)-4,4,4-trifluoro-1-hydroxybutan-2-yl]pentanamide
CID 161726386
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propanamide
CID 39236462
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propanoylamino]pentanoic acid
CID 43353258
N-(1-hydroxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43417841
N-(1-hydroxypropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43418548
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol
CID 54962234
(2S)-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propanoylamino]pentanoic acid
CID 61137905
N-(1-hydroxy-4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 61246335

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide (CID 103209026) is 3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide is CC(C)CC(CO)NC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The InChIKey is NWAKIYNPUKHFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO3/c1-8(2)5-9(6-15)14-11(16)3-4-17-7-10(12)13/h8-10,15H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
3-(2,2-difluoroethoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide has a molecular weight of 253.29 g/mol, XLogP of 1.18, 9 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-(1-hydroxy-4-methylpentan-2-yl)propanamide is sourced from PubChem (CID 103209026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).