2,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide

C10H18F3NO2 — CID 175403237

IUPAC2,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide
SMILESCC(O)CCCNC(=O)C(F)C(C)C(F)F
InChIInChI=1S/C10H18F3NO2/c1-6(15)4-3-5-14-10(16)8(11)7(2)9(12)13/h6-9,15H,3-5H2,1-2H3,(H,14,16)
InChIKeyLFKHAOICPJGJRP-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.50
Rot. Bonds7

About 2,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide

2,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide (PubChem CID 175403237) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide.

Molecular Properties

Compound Name2,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide
PubChem CID175403237
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide
SMILESCC(O)CCCNC(=O)C(F)C(C)C(F)F
InChIInChI=1S/C10H18F3NO2/c1-6(15)4-3-5-14-10(16)8(11)7(2)9(12)13/h6-9,15H,3-5H2,1-2H3,(H,14,16)
InChIKeyLFKHAOICPJGJRP-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
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 2,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide?
The IUPAC name of 2,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide (CID 175403237) is 2,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide.
What is the SMILES notation for 2,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide?
The canonical SMILES for 2,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide is CC(O)CCCNC(=O)C(F)C(C)C(F)F.
What is the InChIKey of 2,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide?
The InChIKey is LFKHAOICPJGJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-6(15)4-3-5-14-10(16)8(11)7(2)9(12)13/h6-9,15H,3-5H2,1-2H3,(H,14,16).
What are the key properties of 2,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide?
2,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide has a molecular weight of 241.25 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide is sourced from PubChem (CID 175403237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).