2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylpropanamide

C9H18FNO2 — CID 130562010

IUPAC2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylpropanamide
SMILESCC(O)C(C)(C)NC(=O)C(C)(C)F
InChIInChI=1S/C9H18FNO2/c1-6(12)9(4,5)11-7(13)8(2,3)10/h6,12H,1-5H3,(H,11,13)
InChIKeyJXPPYEPCESWQSE-UHFFFAOYSA-N
MW191.25 g/mol
LogP1.01
Rot. Bonds3

About 2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylpropanamide

2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylpropanamide (PubChem CID 130562010) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylpropanamide
PubChem CID130562010
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Name2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylpropanamide
SMILESCC(O)C(C)(C)NC(=O)C(C)(C)F
InChIInChI=1S/C9H18FNO2/c1-6(12)9(4,5)11-7(13)8(2,3)10/h6,12H,1-5H3,(H,11,13)
InChIKeyJXPPYEPCESWQSE-UHFFFAOYSA-N
XLogP1.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylpropanamide?
The IUPAC name of 2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylpropanamide (CID 130562010) is 2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylpropanamide is CC(O)C(C)(C)NC(=O)C(C)(C)F.
What is the InChIKey of 2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylpropanamide?
The InChIKey is JXPPYEPCESWQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-6(12)9(4,5)11-7(13)8(2,3)10/h6,12H,1-5H3,(H,11,13).
What are the key properties of 2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylpropanamide?
2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylpropanamide has a molecular weight of 191.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 130562010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).