4,4,4-trifluoro-N-(5-hydroxy-4-methylpentyl)butanamide

C10H18F3NO2 — CID 103862001

IUPAC4,4,4-trifluoro-N-(5-hydroxy-4-methylpentyl)butanamide
SMILESCC(CO)CCCNC(=O)CCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-8(7-15)3-2-6-14-9(16)4-5-10(11,12)13/h8,15H,2-7H2,1H3,(H,14,16)
InChIKeyQLLSFQSFAYEJPR-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.85
Rot. Bonds7

About 4,4,4-trifluoro-N-(5-hydroxy-4-methylpentyl)butanamide

4,4,4-trifluoro-N-(5-hydroxy-4-methylpentyl)butanamide (PubChem CID 103862001) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(5-hydroxy-4-methylpentyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(5-hydroxy-4-methylpentyl)butanamide
PubChem CID103862001
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name4,4,4-trifluoro-N-(5-hydroxy-4-methylpentyl)butanamide
SMILESCC(CO)CCCNC(=O)CCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-8(7-15)3-2-6-14-9(16)4-5-10(11,12)13/h8,15H,2-7H2,1H3,(H,14,16)
InChIKeyQLLSFQSFAYEJPR-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.85
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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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(5-hydroxy-4-methylpentyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(5-hydroxy-4-methylpentyl)butanamide (CID 103862001) is 4,4,4-trifluoro-N-(5-hydroxy-4-methylpentyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(5-hydroxy-4-methylpentyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(5-hydroxy-4-methylpentyl)butanamide is CC(CO)CCCNC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(5-hydroxy-4-methylpentyl)butanamide?
The InChIKey is QLLSFQSFAYEJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-8(7-15)3-2-6-14-9(16)4-5-10(11,12)13/h8,15H,2-7H2,1H3,(H,14,16).
What are the key properties of 4,4,4-trifluoro-N-(5-hydroxy-4-methylpentyl)butanamide?
4,4,4-trifluoro-N-(5-hydroxy-4-methylpentyl)butanamide has a molecular weight of 241.25 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(5-hydroxy-4-methylpentyl)butanamide is sourced from PubChem (CID 103862001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).