4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)pentanamide

C9H16F3NO2 — CID 79192272

IUPAC4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)pentanamide
SMILESCC(O)CCC(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-7(14)3-4-8(15)13(2)6-5-9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyWJJSGUDPSVIKFV-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.56
Rot. Bonds5

About 4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)pentanamide

4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)pentanamide (PubChem CID 79192272) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)pentanamide
PubChem CID79192272
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)pentanamide
SMILESCC(O)CCC(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-7(14)3-4-8(15)13(2)6-5-9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyWJJSGUDPSVIKFV-UHFFFAOYSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diisopropyl-4-hydroxypentanamide
CID 11206451
4-Hydroxy-1-pyrrolidin-1-ylpentan-1-one
CID 54374776
2-Hydroxyethyl-dimethyl-(5,5,5-trifluoropentanoyl)azanium
CID 17914030
2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(4-hydroxybutyl)-N-methylhexanamide
CID 91227751
4,4,4-trifluoro-N-(4-hydroxypentyl)butanamide
CID 107300412
5,5,5-trifluoro-N-(4-hydroxypentyl)pentanamide
CID 168158632
4-hydroxy-N,N-di(propan-2-yl)hexanamide
CID 86044757
2,2,2-trifluoro-N-hexyl-N-(4-hydroxybutyl)acetamide
CID 44521286
4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide
CID 65995137
4-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide
CID 79192041
N-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79192046
4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)butanamide
CID 79192115

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)pentanamide?
The IUPAC name of 4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)pentanamide (CID 79192272) is 4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)pentanamide.
What is the SMILES notation for 4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)pentanamide?
The canonical SMILES for 4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)pentanamide is CC(O)CCC(=O)N(C)CCC(F)(F)F.
What is the InChIKey of 4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)pentanamide?
The InChIKey is WJJSGUDPSVIKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-7(14)3-4-8(15)13(2)6-5-9(10,11)12/h7,14H,3-6H2,1-2H3.
What are the key properties of 4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)pentanamide?
4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)pentanamide has a molecular weight of 227.23 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)pentanamide is sourced from PubChem (CID 79192272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).