(2S)-4-fluoro-2-hydroxy-N-(2-methylpropyl)butanamide

C8H16FNO2 — CID 102300941

IUPAC(2S)-4-fluoro-2-hydroxy-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)[C@@H](O)CCF
InChIInChI=1S/C8H16FNO2/c1-6(2)5-10-8(12)7(11)3-4-9/h6-7,11H,3-5H2,1-2H3,(H,10,12)/t7-/m0/s1
InChIKeyLFWNOUCEAZJRMI-ZETCQYMHSA-N
MW177.22 g/mol
LogP0.48
Rot. Bonds5

About (2S)-4-fluoro-2-hydroxy-N-(2-methylpropyl)butanamide

(2S)-4-fluoro-2-hydroxy-N-(2-methylpropyl)butanamide (PubChem CID 102300941) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is (2S)-4-fluoro-2-hydroxy-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name(2S)-4-fluoro-2-hydroxy-N-(2-methylpropyl)butanamide
PubChem CID102300941
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name(2S)-4-fluoro-2-hydroxy-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)[C@@H](O)CCF
InChIInChI=1S/C8H16FNO2/c1-6(2)5-10-8(12)7(11)3-4-9/h6-7,11H,3-5H2,1-2H3,(H,10,12)/t7-/m0/s1
InChIKeyLFWNOUCEAZJRMI-ZETCQYMHSA-N
XLogP0.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-fluoro-2-hydroxy-N-(2-methylpropyl)butanamide?
The IUPAC name of (2S)-4-fluoro-2-hydroxy-N-(2-methylpropyl)butanamide (CID 102300941) is (2S)-4-fluoro-2-hydroxy-N-(2-methylpropyl)butanamide.
What is the SMILES notation for (2S)-4-fluoro-2-hydroxy-N-(2-methylpropyl)butanamide?
The canonical SMILES for (2S)-4-fluoro-2-hydroxy-N-(2-methylpropyl)butanamide is CC(C)CNC(=O)[C@@H](O)CCF.
What is the InChIKey of (2S)-4-fluoro-2-hydroxy-N-(2-methylpropyl)butanamide?
The InChIKey is LFWNOUCEAZJRMI-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-6(2)5-10-8(12)7(11)3-4-9/h6-7,11H,3-5H2,1-2H3,(H,10,12)/t7-/m0/s1.
What are the key properties of (2S)-4-fluoro-2-hydroxy-N-(2-methylpropyl)butanamide?
(2S)-4-fluoro-2-hydroxy-N-(2-methylpropyl)butanamide has a molecular weight of 177.22 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-fluoro-2-hydroxy-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 102300941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).