4-[fluoro(methyl)phosphoryl]oxy-2,2,6,6-tetramethylpiperidine

C10H21FNO2P — CID 22895100

IUPAC4-[fluoro(methyl)phosphoryl]oxy-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(OP(C)(=O)F)CC(C)(C)N1
InChIInChI=1S/C10H21FNO2P/c1-9(2)6-8(14-15(5,11)13)7-10(3,4)12-9/h8,12H,6-7H2,1-5H3
InChIKeyZSHVOISPAFOIPF-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.10
Rot. Bonds2

About 4-[fluoro(methyl)phosphoryl]oxy-2,2,6,6-tetramethylpiperidine

4-[fluoro(methyl)phosphoryl]oxy-2,2,6,6-tetramethylpiperidine (PubChem CID 22895100) has the molecular formula C10H21FNO2P and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-[fluoro(methyl)phosphoryl]oxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[fluoro(methyl)phosphoryl]oxy-2,2,6,6-tetramethylpiperidine
PubChem CID22895100
Molecular FormulaC10H21FNO2P
Molecular Weight237.25 g/mol
Exact Mass237.13
IUPAC Name4-[fluoro(methyl)phosphoryl]oxy-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(OP(C)(=O)F)CC(C)(C)N1
InChIInChI=1S/C10H21FNO2P/c1-9(2)6-8(14-15(5,11)13)7-10(3,4)12-9/h8,12H,6-7H2,1-5H3
InChIKeyZSHVOISPAFOIPF-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[fluoro(methyl)phosphoryl]oxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[fluoro(methyl)phosphoryl]oxy-2,2,6,6-tetramethylpiperidine (CID 22895100) is 4-[fluoro(methyl)phosphoryl]oxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[fluoro(methyl)phosphoryl]oxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[fluoro(methyl)phosphoryl]oxy-2,2,6,6-tetramethylpiperidine is CC1(C)CC(OP(C)(=O)F)CC(C)(C)N1.
What is the InChIKey of 4-[fluoro(methyl)phosphoryl]oxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is ZSHVOISPAFOIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FNO2P/c1-9(2)6-8(14-15(5,11)13)7-10(3,4)12-9/h8,12H,6-7H2,1-5H3.
What are the key properties of 4-[fluoro(methyl)phosphoryl]oxy-2,2,6,6-tetramethylpiperidine?
4-[fluoro(methyl)phosphoryl]oxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 237.25 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro(methyl)phosphoryl]oxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 22895100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).