(4R)-5,5,5-trifluoro-4-hydroxy-2-methylpentanamide

C6H10F3NO2 — CID 140657262

IUPAC(4R)-5,5,5-trifluoro-4-hydroxy-2-methylpentanamide
SMILESCC(C[C@@H](O)C(F)(F)F)C(N)=O
InChIInChI=1S/C6H10F3NO2/c1-3(5(10)12)2-4(11)6(7,8)9/h3-4,11H,2H2,1H3,(H2,10,12)/t3?,4-/m1/s1
InChIKeyBUHASUWRVVFECP-SRBOSORUSA-N
MW185.15 g/mol
LogP0.42
Rot. Bonds3

About (4R)-5,5,5-trifluoro-4-hydroxy-2-methylpentanamide

(4R)-5,5,5-trifluoro-4-hydroxy-2-methylpentanamide (PubChem CID 140657262) has the molecular formula C6H10F3NO2 and a molecular weight of 185.15 g/mol. Its IUPAC name is (4R)-5,5,5-trifluoro-4-hydroxy-2-methylpentanamide.

Molecular Properties

Compound Name(4R)-5,5,5-trifluoro-4-hydroxy-2-methylpentanamide
PubChem CID140657262
Molecular FormulaC6H10F3NO2
Molecular Weight185.15 g/mol
Exact Mass185.07
IUPAC Name(4R)-5,5,5-trifluoro-4-hydroxy-2-methylpentanamide
SMILESCC(C[C@@H](O)C(F)(F)F)C(N)=O
InChIInChI=1S/C6H10F3NO2/c1-3(5(10)12)2-4(11)6(7,8)9/h3-4,11H,2H2,1H3,(H2,10,12)/t3?,4-/m1/s1
InChIKeyBUHASUWRVVFECP-SRBOSORUSA-N
XLogP0.42
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyln-(2-hydroxyethyl) propionamide
CID 21402965
5,5,5-Trifluoro-4-hydroxy-valeric acid amide
CID 87928088
4,4,4-Trifluoro-3-(hydroxymethyl)butanamide
CID 89116568
5,5,5-Trifluoro-4-hydroxy-3-propan-2-ylpentanamide
CID 140376380
4-hydroxy-N-(2,2,2-trifluoroethoxy)pentanamide
CID 82721487
4-Hydroxy-3-methylpentanamide
CID 21402958
4-Hydroxy-2-methylhexanamide
CID 88134456
(2S,4S)-4-hydroxy-2-methylhexanamide
CID 124200831
(4S)-4-hydroxy-2-methylpentanamide
CID 140571732
(4R)-4-hydroxy-2-methylpentanamide
CID 140571733
4-Hydroxypentanamide;3-methylbutan-1-ol
CID 142452022
(3R,4R)-4-hydroxy-3-(hydroxymethyl)pentanamide
CID 145753428

Frequently Asked Questions

What is the IUPAC name of (4R)-5,5,5-trifluoro-4-hydroxy-2-methylpentanamide?
The IUPAC name of (4R)-5,5,5-trifluoro-4-hydroxy-2-methylpentanamide (CID 140657262) is (4R)-5,5,5-trifluoro-4-hydroxy-2-methylpentanamide.
What is the SMILES notation for (4R)-5,5,5-trifluoro-4-hydroxy-2-methylpentanamide?
The canonical SMILES for (4R)-5,5,5-trifluoro-4-hydroxy-2-methylpentanamide is CC(C[C@@H](O)C(F)(F)F)C(N)=O.
What is the InChIKey of (4R)-5,5,5-trifluoro-4-hydroxy-2-methylpentanamide?
The InChIKey is BUHASUWRVVFECP-SRBOSORUSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-3(5(10)12)2-4(11)6(7,8)9/h3-4,11H,2H2,1H3,(H2,10,12)/t3?,4-/m1/s1.
What are the key properties of (4R)-5,5,5-trifluoro-4-hydroxy-2-methylpentanamide?
(4R)-5,5,5-trifluoro-4-hydroxy-2-methylpentanamide has a molecular weight of 185.15 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5,5-trifluoro-4-hydroxy-2-methylpentanamide is sourced from PubChem (CID 140657262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).