(2S)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide

C6H12FNO2 — CID 171543133

IUPAC(2S)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide
SMILESCN(C)C(=O)[C@@H](F)CCO
InChIInChI=1S/C6H12FNO2/c1-8(2)6(10)5(7)3-4-9/h5,9H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyUIPQAASKIRKAIY-YFKPBYRVSA-N
MW149.16 g/mol
LogP-0.20
Rot. Bonds3

About (2S)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide

(2S)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide (PubChem CID 171543133) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is (2S)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide
PubChem CID171543133
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Name(2S)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide
SMILESCN(C)C(=O)[C@@H](F)CCO
InChIInChI=1S/C6H12FNO2/c1-8(2)6(10)5(7)3-4-9/h5,9H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyUIPQAASKIRKAIY-YFKPBYRVSA-N
XLogP-0.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide?
The IUPAC name of (2S)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide (CID 171543133) is (2S)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide.
What is the SMILES notation for (2S)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide?
The canonical SMILES for (2S)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide is CN(C)C(=O)[C@@H](F)CCO.
What is the InChIKey of (2S)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide?
The InChIKey is UIPQAASKIRKAIY-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-8(2)6(10)5(7)3-4-9/h5,9H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide?
(2S)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide has a molecular weight of 149.16 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide is sourced from PubChem (CID 171543133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).