1-fluoro-1-methylphosphinan-1-ium

C6H13FP+ — CID 156737656

IUPAC1-fluoro-1-methylphosphinan-1-ium
SMILESC[P+]1(F)CCCCC1
InChIInChI=1S/C6H13FP/c1-8(7)5-3-2-4-6-8/h2-6H2,1H3/q+1
InChIKeyMMXMKFKUCZUMAF-UHFFFAOYSA-N
MW135.14 g/mol
LogP2.70
Rot. Bonds

About 1-fluoro-1-methylphosphinan-1-ium

1-fluoro-1-methylphosphinan-1-ium (PubChem CID 156737656) has the molecular formula C6H13FP+ and a molecular weight of 135.14 g/mol. Its IUPAC name is 1-fluoro-1-methylphosphinan-1-ium.

Molecular Properties

Compound Name1-fluoro-1-methylphosphinan-1-ium
PubChem CID156737656
Molecular FormulaC6H13FP+
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Name1-fluoro-1-methylphosphinan-1-ium
SMILESC[P+]1(F)CCCCC1
InChIInChI=1S/C6H13FP/c1-8(7)5-3-2-4-6-8/h2-6H2,1H3/q+1
InChIKeyMMXMKFKUCZUMAF-UHFFFAOYSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-methylphosphinan-1-ium?
The IUPAC name of 1-fluoro-1-methylphosphinan-1-ium (CID 156737656) is 1-fluoro-1-methylphosphinan-1-ium.
What is the SMILES notation for 1-fluoro-1-methylphosphinan-1-ium?
The canonical SMILES for 1-fluoro-1-methylphosphinan-1-ium is C[P+]1(F)CCCCC1.
What is the InChIKey of 1-fluoro-1-methylphosphinan-1-ium?
The InChIKey is MMXMKFKUCZUMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FP/c1-8(7)5-3-2-4-6-8/h2-6H2,1H3/q+1.
What are the key properties of 1-fluoro-1-methylphosphinan-1-ium?
1-fluoro-1-methylphosphinan-1-ium has a molecular weight of 135.14 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-methylphosphinan-1-ium is sourced from PubChem (CID 156737656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).