4-methyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentyl)octanamide

C15H28F3NO2 — CID 167298989

IUPAC4-methyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentyl)octanamide
SMILESCCCCC(C)CCC(=O)NCCCC(C)(O)C(F)(F)F
InChIInChI=1S/C15H28F3NO2/c1-4-5-7-12(2)8-9-13(20)19-11-6-10-14(3,21)15(16,17)18/h12,21H,4-11H2,1-3H3,(H,19,20)
InChIKeyYFYCLOURDMKUDH-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.80
Rot. Bonds10

About 4-methyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentyl)octanamide

4-methyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentyl)octanamide (PubChem CID 167298989) has the molecular formula C15H28F3NO2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-methyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentyl)octanamide.

Molecular Properties

Compound Name4-methyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentyl)octanamide
PubChem CID167298989
Molecular FormulaC15H28F3NO2
Molecular Weight311.39 g/mol
Exact Mass311.21
IUPAC Name4-methyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentyl)octanamide
SMILESCCCCC(C)CCC(=O)NCCCC(C)(O)C(F)(F)F
InChIInChI=1S/C15H28F3NO2/c1-4-5-7-12(2)8-9-13(20)19-11-6-10-14(3,21)15(16,17)18/h12,21H,4-11H2,1-3H3,(H,19,20)
InChIKeyYFYCLOURDMKUDH-UHFFFAOYSA-N
XLogP3.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2-diethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide
CID 58823599
9,9,9-trifluoro-N-(3-methylbutyl)-8-oxononanamide
CID 85823252
N-ethyl-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentanamide
CID 89370330
2,2,2-trifluoro-N-(7-methyl-6-oxononyl)acetamide
CID 91376300
2-Ethyl-6-[(2,2,2-trifluoroacetyl)amino]hexanoic acid
CID 163637953
ethane;3-hydroxy-N-propyl-3-(trifluoromethyl)cyclobutane-1-carboxamide
CID 164556173
2-(4,4-difluorocycloheptyl)-N-(4-hydroxypentyl)acetamide
CID 168158650
2-Methyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)butanoic acid
CID 175215362
4-[2-(3,3,3-Trifluoropropanoylamino)ethyl]heptanoic acid
CID 64342612
4-[2-[(2,2,2-Trifluoroacetyl)amino]ethyl]heptanoic acid
CID 64343418
4-[2-(4,4,4-Trifluorobutanoylamino)ethyl]heptanoic acid
CID 65710093
N-(2-ethyl-2-hydroxybutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79019740

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentyl)octanamide?
The IUPAC name of 4-methyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentyl)octanamide (CID 167298989) is 4-methyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentyl)octanamide.
What is the SMILES notation for 4-methyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentyl)octanamide?
The canonical SMILES for 4-methyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentyl)octanamide is CCCCC(C)CCC(=O)NCCCC(C)(O)C(F)(F)F.
What is the InChIKey of 4-methyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentyl)octanamide?
The InChIKey is YFYCLOURDMKUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO2/c1-4-5-7-12(2)8-9-13(20)19-11-6-10-14(3,21)15(16,17)18/h12,21H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 4-methyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentyl)octanamide?
4-methyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentyl)octanamide has a molecular weight of 311.39 g/mol, XLogP of 3.80, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentyl)octanamide is sourced from PubChem (CID 167298989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).