5-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide

C8H14F3NO2 — CID 79199158

IUPAC5-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCN(CC(F)(F)F)C(=O)CCCCO
InChIInChI=1S/C8H14F3NO2/c1-12(6-8(9,10)11)7(14)4-2-3-5-13/h13H,2-6H2,1H3
InChIKeyWKFHEPSMYRXQMH-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.17
Rot. Bonds5

About 5-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide

5-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 79199158) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 5-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID79199158
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name5-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCN(CC(F)(F)F)C(=O)CCCCO
InChIInChI=1S/C8H14F3NO2/c1-12(6-8(9,10)11)7(14)4-2-3-5-13/h13H,2-6H2,1H3
InChIKeyWKFHEPSMYRXQMH-UHFFFAOYSA-N
XLogP1.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 13090851
5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
CID 60891554
5-hydroxy-N-(3-hydroxypropyl)-N-methylpentanamide
CID 139993140
3-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60890804
N-(5-hydroxypentyl)-N-methyldodecanamide
CID 107201995
5-hydroxy-N-(2-hydroxypropyl)-N-methylpentanamide
CID 79199467
7-amino-N-(5-hydroxypentyl)-N-methylheptanamide
CID 107199281
5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide
CID 107910777
11-hydroxy-N,N-dimethylundecanamide
CID 14819907
12-hydroxy-N,N-dimethyldodecanamide
CID 14819908
N-(3-hydroxypropyl)-N-methyldecanamide
CID 59366231
4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 79203920

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 5-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide (CID 79199158) is 5-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 5-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 5-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide is CN(CC(F)(F)F)C(=O)CCCCO.
What is the InChIKey of 5-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is WKFHEPSMYRXQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-12(6-8(9,10)11)7(14)4-2-3-5-13/h13H,2-6H2,1H3.
What are the key properties of 5-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
5-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 213.20 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 79199158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).