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

C12H22F3NO3 — CID 103725633

IUPACN-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCCC(CCO)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C12H22F3NO3/c1-2-3-10(4-6-17)8-16-11(18)5-7-19-9-12(13,14)15/h10,17H,2-9H2,1H3,(H,16,18)
InChIKeyVYVPASNCYPRMKK-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.87
Rot. Bonds10

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

N-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103725633) has the molecular formula C12H22F3NO3 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103725633
Molecular FormulaC12H22F3NO3
Molecular Weight285.31 g/mol
Exact Mass285.16
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCCC(CCO)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C12H22F3NO3/c1-2-3-10(4-6-17)8-16-11(18)5-7-19-9-12(13,14)15/h10,17H,2-9H2,1H3,(H,16,18)
InChIKeyVYVPASNCYPRMKK-UHFFFAOYSA-N
XLogP1.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.87
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 N-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 103725633) is N-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethoxy)propanamide is CCCC(CCO)CNC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is VYVPASNCYPRMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO3/c1-2-3-10(4-6-17)8-16-11(18)5-7-19-9-12(13,14)15/h10,17H,2-9H2,1H3,(H,16,18).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 285.31 g/mol, XLogP of 1.87, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103725633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).