2-fluoro-2-methyl-1-piperidin-1-ylbutane-1,3-dione

C10H16FNO2 — CID 118531118

IUPAC2-fluoro-2-methyl-1-piperidin-1-ylbutane-1,3-dione
SMILESCC(=O)C(C)(F)C(=O)N1CCCCC1
InChIInChI=1S/C10H16FNO2/c1-8(13)10(2,11)9(14)12-6-4-3-5-7-12/h3-7H2,1-2H3
InChIKeyPPRVIZAMGVZIRM-UHFFFAOYSA-N
MW201.24 g/mol
LogP1.32
Rot. Bonds2

About 2-fluoro-2-methyl-1-piperidin-1-ylbutane-1,3-dione

2-fluoro-2-methyl-1-piperidin-1-ylbutane-1,3-dione (PubChem CID 118531118) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1-piperidin-1-ylbutane-1,3-dione.

Molecular Properties

Compound Name2-fluoro-2-methyl-1-piperidin-1-ylbutane-1,3-dione
PubChem CID118531118
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name2-fluoro-2-methyl-1-piperidin-1-ylbutane-1,3-dione
SMILESCC(=O)C(C)(F)C(=O)N1CCCCC1
InChIInChI=1S/C10H16FNO2/c1-8(13)10(2,11)9(14)12-6-4-3-5-7-12/h3-7H2,1-2H3
InChIKeyPPRVIZAMGVZIRM-UHFFFAOYSA-N
XLogP1.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-1-piperidin-1-ylbutane-1,3-dione?
The IUPAC name of 2-fluoro-2-methyl-1-piperidin-1-ylbutane-1,3-dione (CID 118531118) is 2-fluoro-2-methyl-1-piperidin-1-ylbutane-1,3-dione.
What is the SMILES notation for 2-fluoro-2-methyl-1-piperidin-1-ylbutane-1,3-dione?
The canonical SMILES for 2-fluoro-2-methyl-1-piperidin-1-ylbutane-1,3-dione is CC(=O)C(C)(F)C(=O)N1CCCCC1.
What is the InChIKey of 2-fluoro-2-methyl-1-piperidin-1-ylbutane-1,3-dione?
The InChIKey is PPRVIZAMGVZIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-8(13)10(2,11)9(14)12-6-4-3-5-7-12/h3-7H2,1-2H3.
What are the key properties of 2-fluoro-2-methyl-1-piperidin-1-ylbutane-1,3-dione?
2-fluoro-2-methyl-1-piperidin-1-ylbutane-1,3-dione has a molecular weight of 201.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-1-piperidin-1-ylbutane-1,3-dione is sourced from PubChem (CID 118531118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).