5,5,5-trifluoro-4-hydroxy-N-propan-2-ylpentanamide

C8H14F3NO2 — CID 164830165

IUPAC5,5,5-trifluoro-4-hydroxy-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)CCC(O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-5(2)12-7(14)4-3-6(13)8(9,10)11/h5-6,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyHMJVARMZPSKUIR-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.21
Rot. Bonds4

About 5,5,5-trifluoro-4-hydroxy-N-propan-2-ylpentanamide

5,5,5-trifluoro-4-hydroxy-N-propan-2-ylpentanamide (PubChem CID 164830165) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 5,5,5-trifluoro-4-hydroxy-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name5,5,5-trifluoro-4-hydroxy-N-propan-2-ylpentanamide
PubChem CID164830165
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name5,5,5-trifluoro-4-hydroxy-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)CCC(O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-5(2)12-7(14)4-3-6(13)8(9,10)11/h5-6,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyHMJVARMZPSKUIR-UHFFFAOYSA-N
XLogP1.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
CID 57029241
3,3,3-trifluoro-N-(4-hydroxypentyl)propanamide
CID 107300309
4,4,4-trifluoro-N-(4-hydroxypentyl)butanamide
CID 107300412
2,2-difluoro-N-[(2R,3S)-2-hydroxypentan-3-yl]propanamide
CID 156574132
5,5,5-trifluoro-N-(4-hydroxypentyl)pentanamide
CID 168158632
10,10,10-trifluoro-N-(4-hydroxypentyl)decanamide
CID 168158633
2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxypentyl)butanamide
CID 168158634
8,8,8-trifluoro-N-(4-hydroxypentyl)octanamide
CID 168158635
6,6,6-trifluoro-N-(4-hydroxybutyl)hexanamide
CID 168158637
6,6,6-trifluoro-N-(4-hydroxyhexyl)hexanamide
CID 168158641
6-fluoro-N-(4-hydroxyhexyl)hexanamide
CID 168158643
4,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide
CID 168158646

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4-hydroxy-N-propan-2-ylpentanamide?
The IUPAC name of 5,5,5-trifluoro-4-hydroxy-N-propan-2-ylpentanamide (CID 164830165) is 5,5,5-trifluoro-4-hydroxy-N-propan-2-ylpentanamide.
What is the SMILES notation for 5,5,5-trifluoro-4-hydroxy-N-propan-2-ylpentanamide?
The canonical SMILES for 5,5,5-trifluoro-4-hydroxy-N-propan-2-ylpentanamide is CC(C)NC(=O)CCC(O)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-4-hydroxy-N-propan-2-ylpentanamide?
The InChIKey is HMJVARMZPSKUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-5(2)12-7(14)4-3-6(13)8(9,10)11/h5-6,13H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 5,5,5-trifluoro-4-hydroxy-N-propan-2-ylpentanamide?
5,5,5-trifluoro-4-hydroxy-N-propan-2-ylpentanamide has a molecular weight of 213.20 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4-hydroxy-N-propan-2-ylpentanamide is sourced from PubChem (CID 164830165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).