3-(2,2-difluoroethoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide

C12H23F2NO3 — CID 103525131

IUPAC3-(2,2-difluoroethoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide
SMILESCCCC(CCO)CNC(=O)CCOCC(F)F
InChIInChI=1S/C12H23F2NO3/c1-2-3-10(4-6-16)8-15-12(17)5-7-18-9-11(13)14/h10-11,16H,2-9H2,1H3,(H,15,17)
InChIKeyYWIJUOBKMHSRGT-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.57
Rot. Bonds11

About 3-(2,2-difluoroethoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide

3-(2,2-difluoroethoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide (PubChem CID 103525131) has the molecular formula C12H23F2NO3 and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide
PubChem CID103525131
Molecular FormulaC12H23F2NO3
Molecular Weight267.32 g/mol
Exact Mass267.16
IUPAC Name3-(2,2-difluoroethoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide
SMILESCCCC(CCO)CNC(=O)CCOCC(F)F
InChIInChI=1S/C12H23F2NO3/c1-2-3-10(4-6-16)8-15-12(17)5-7-18-9-11(13)14/h10-11,16H,2-9H2,1H3,(H,15,17)
InChIKeyYWIJUOBKMHSRGT-UHFFFAOYSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
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

1-[3-(2-Hydroxyethyl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 55064851
N-(1-hydroxy-4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 61246335
4-Ethyl-6-[3-(2,2,2-trifluoroethoxy)propanoylamino]hexanoic acid
CID 64349005
4-Methyl-6-[3-(2,2,2-trifluoroethoxy)propanoylamino]hexanoic acid
CID 64365712
N-[(2-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 64911939
5-Methyl-3-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]hexanoic acid
CID 65494132
(3S)-5-methyl-3-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]hexanoic acid
CID 65494723
N-[(2-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 65834384
N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 65903123
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 65924789
N-[(3-hydroxycyclobutyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 66006921
N-(4-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 66108641

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide (CID 103525131) is 3-(2,2-difluoroethoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide is CCCC(CCO)CNC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide?
The InChIKey is YWIJUOBKMHSRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO3/c1-2-3-10(4-6-16)8-15-12(17)5-7-18-9-11(13)14/h10-11,16H,2-9H2,1H3,(H,15,17).
What are the key properties of 3-(2,2-difluoroethoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide?
3-(2,2-difluoroethoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide has a molecular weight of 267.32 g/mol, XLogP of 1.57, 11 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-[2-(2-hydroxyethyl)pentyl]propanamide is sourced from PubChem (CID 103525131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).