1-fluoro-1,2-dimethylphosphiran-1-ium

C4H9FP+ — CID 129075136

IUPAC1-fluoro-1,2-dimethylphosphiran-1-ium
SMILESCC1C[P+]1(C)F
InChIInChI=1S/C4H9FP/c1-4-3-6(4,2)5/h4H,3H2,1-2H3/q+1
InChIKeyOYENTNBSXWHGMN-UHFFFAOYSA-N
MW107.09 g/mol
LogP1.92
Rot. Bonds

About 1-fluoro-1,2-dimethylphosphiran-1-ium

1-fluoro-1,2-dimethylphosphiran-1-ium (PubChem CID 129075136) has the molecular formula C4H9FP+ and a molecular weight of 107.09 g/mol. Its IUPAC name is 1-fluoro-1,2-dimethylphosphiran-1-ium.

Molecular Properties

Compound Name1-fluoro-1,2-dimethylphosphiran-1-ium
PubChem CID129075136
Molecular FormulaC4H9FP+
Molecular Weight107.09 g/mol
Exact Mass107.04
IUPAC Name1-fluoro-1,2-dimethylphosphiran-1-ium
SMILESCC1C[P+]1(C)F
InChIInChI=1S/C4H9FP/c1-4-3-6(4,2)5/h4H,3H2,1-2H3/q+1
InChIKeyOYENTNBSXWHGMN-UHFFFAOYSA-N
XLogP1.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.09
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(1S,2R,3S,6R)-2-fluoro-3,6-dimethylcyclohexan-1-amine
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(3S,6S)-3-fluoro-6-methyl-3,6-dihydro-2H-pyran
CID 91530448
cis-(4R,5S)-1-fluoro-2,4,5-trimethylcyclohexane
CID 122693333
(1R)-1,3-difluoro-2-methylcyclohexane
CID 134531645
(2R,3R)-3-fluoro-2-methylazetidine
CID 135396219
2-methyl-azanidacyclopropane;tantalum
CID 59089984
(1R)-1-fluoro-3-methylcyclopentane
CID 126671048
cis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane
CID 169143039
cis-(1S,2R)-1-fluoro-2,3-dimethylcyclopentane
CID 126671051
2,3,5-trifluoro-4-methylthiolane
CID 66729807
trans-(2R,3S)-2-fluoro-1,1,3-trimethylcyclopropane
CID 134934913

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1,2-dimethylphosphiran-1-ium?
The IUPAC name of 1-fluoro-1,2-dimethylphosphiran-1-ium (CID 129075136) is 1-fluoro-1,2-dimethylphosphiran-1-ium.
What is the SMILES notation for 1-fluoro-1,2-dimethylphosphiran-1-ium?
The canonical SMILES for 1-fluoro-1,2-dimethylphosphiran-1-ium is CC1C[P+]1(C)F.
What is the InChIKey of 1-fluoro-1,2-dimethylphosphiran-1-ium?
The InChIKey is OYENTNBSXWHGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FP/c1-4-3-6(4,2)5/h4H,3H2,1-2H3/q+1.
What are the key properties of 1-fluoro-1,2-dimethylphosphiran-1-ium?
1-fluoro-1,2-dimethylphosphiran-1-ium has a molecular weight of 107.09 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1,2-dimethylphosphiran-1-ium is sourced from PubChem (CID 129075136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).