2-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N,3-dimethylbutanamide

C9H18FNO2 — CID 165350423

IUPAC2-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N,3-dimethylbutanamide
SMILESCC(C)C(F)C(=O)N(C)[C@@H](C)CO
InChIInChI=1S/C9H18FNO2/c1-6(2)8(10)9(13)11(4)7(3)5-12/h6-8,12H,5H2,1-4H3/t7-,8?/m0/s1
InChIKeyYGDLCLNBAIQWFZ-JAMMHHFISA-N
MW191.25 g/mol
LogP0.82
Rot. Bonds4

About 2-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N,3-dimethylbutanamide

2-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N,3-dimethylbutanamide (PubChem CID 165350423) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N,3-dimethylbutanamide
PubChem CID165350423
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Name2-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N,3-dimethylbutanamide
SMILESCC(C)C(F)C(=O)N(C)[C@@H](C)CO
InChIInChI=1S/C9H18FNO2/c1-6(2)8(10)9(13)11(4)7(3)5-12/h6-8,12H,5H2,1-4H3/t7-,8?/m0/s1
InChIKeyYGDLCLNBAIQWFZ-JAMMHHFISA-N
XLogP0.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N,3-dimethylbutanamide?
The IUPAC name of 2-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N,3-dimethylbutanamide (CID 165350423) is 2-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N,3-dimethylbutanamide.
What is the SMILES notation for 2-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N,3-dimethylbutanamide?
The canonical SMILES for 2-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N,3-dimethylbutanamide is CC(C)C(F)C(=O)N(C)[C@@H](C)CO.
What is the InChIKey of 2-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N,3-dimethylbutanamide?
The InChIKey is YGDLCLNBAIQWFZ-JAMMHHFISA-N. The full InChI is InChI=1S/C9H18FNO2/c1-6(2)8(10)9(13)11(4)7(3)5-12/h6-8,12H,5H2,1-4H3/t7-,8?/m0/s1.
What are the key properties of 2-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N,3-dimethylbutanamide?
2-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N,3-dimethylbutanamide has a molecular weight of 191.25 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N,3-dimethylbutanamide is sourced from PubChem (CID 165350423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).