3,3,3-trifluoro-N-(4-hydroxy-2-methylbutyl)propanamide

C8H14F3NO2 — CID 66106455

IUPAC3,3,3-trifluoro-N-(4-hydroxy-2-methylbutyl)propanamide
SMILESCC(CCO)CNC(=O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6(2-3-13)5-12-7(14)4-8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14)
InChIKeyAYQCGGAVFCUELD-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.07
Rot. Bonds5

About 3,3,3-trifluoro-N-(4-hydroxy-2-methylbutyl)propanamide

3,3,3-trifluoro-N-(4-hydroxy-2-methylbutyl)propanamide (PubChem CID 66106455) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(4-hydroxy-2-methylbutyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(4-hydroxy-2-methylbutyl)propanamide
PubChem CID66106455
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name3,3,3-trifluoro-N-(4-hydroxy-2-methylbutyl)propanamide
SMILESCC(CCO)CNC(=O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6(2-3-13)5-12-7(14)4-8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14)
InChIKeyAYQCGGAVFCUELD-UHFFFAOYSA-N
XLogP1.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(4-hydroxy-2-methylbutyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(4-hydroxy-2-methylbutyl)propanamide (CID 66106455) is 3,3,3-trifluoro-N-(4-hydroxy-2-methylbutyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(4-hydroxy-2-methylbutyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(4-hydroxy-2-methylbutyl)propanamide is CC(CCO)CNC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(4-hydroxy-2-methylbutyl)propanamide?
The InChIKey is AYQCGGAVFCUELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-6(2-3-13)5-12-7(14)4-8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14).
What are the key properties of 3,3,3-trifluoro-N-(4-hydroxy-2-methylbutyl)propanamide?
3,3,3-trifluoro-N-(4-hydroxy-2-methylbutyl)propanamide has a molecular weight of 213.20 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(4-hydroxy-2-methylbutyl)propanamide is sourced from PubChem (CID 66106455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).