1,1-dichloro-3-methyl-2,5-dihydrophosphol-1-ium chloride

C5H8Cl3P — CID 158901595

IUPAC1,1-dichloro-3-methyl-2,5-dihydrophosphol-1-ium chloride
SMILESCC1=CC[P+](Cl)(Cl)C1.[Cl-]
InChIInChI=1S/C5H8Cl2P.ClH/c1-5-2-3-8(6,7)4-5;/h2H,3-4H2,1H3;1H/q+1;/p-1
InChIKeyMTYLTIUHVIYSKQ-UHFFFAOYSA-M
MW205.45 g/mol
LogP0.28
Rot. Bonds

About 1,1-dichloro-3-methyl-2,5-dihydrophosphol-1-ium chloride

1,1-dichloro-3-methyl-2,5-dihydrophosphol-1-ium chloride (PubChem CID 158901595) has the molecular formula C5H8Cl3P and a molecular weight of 205.45 g/mol. Its IUPAC name is 1,1-dichloro-3-methyl-2,5-dihydrophosphol-1-ium chloride.

Molecular Properties

Compound Name1,1-dichloro-3-methyl-2,5-dihydrophosphol-1-ium chloride
PubChem CID158901595
Molecular FormulaC5H8Cl3P
Molecular Weight205.45 g/mol
Exact Mass203.94
IUPAC Name1,1-dichloro-3-methyl-2,5-dihydrophosphol-1-ium chloride
SMILESCC1=CC[P+](Cl)(Cl)C1.[Cl-]
InChIInChI=1S/C5H8Cl2P.ClH/c1-5-2-3-8(6,7)4-5;/h2H,3-4H2,1H3;1H/q+1;/p-1
InChIKeyMTYLTIUHVIYSKQ-UHFFFAOYSA-M
XLogP0.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.45
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-3-methyl-2,5-dihydrophosphol-1-ium chloride?
The IUPAC name of 1,1-dichloro-3-methyl-2,5-dihydrophosphol-1-ium chloride (CID 158901595) is 1,1-dichloro-3-methyl-2,5-dihydrophosphol-1-ium chloride.
What is the SMILES notation for 1,1-dichloro-3-methyl-2,5-dihydrophosphol-1-ium chloride?
The canonical SMILES for 1,1-dichloro-3-methyl-2,5-dihydrophosphol-1-ium chloride is CC1=CC[P+](Cl)(Cl)C1.[Cl-].
What is the InChIKey of 1,1-dichloro-3-methyl-2,5-dihydrophosphol-1-ium chloride?
The InChIKey is MTYLTIUHVIYSKQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8Cl2P.ClH/c1-5-2-3-8(6,7)4-5;/h2H,3-4H2,1H3;1H/q+1;/p-1.
What are the key properties of 1,1-dichloro-3-methyl-2,5-dihydrophosphol-1-ium chloride?
1,1-dichloro-3-methyl-2,5-dihydrophosphol-1-ium chloride has a molecular weight of 205.45 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-3-methyl-2,5-dihydrophosphol-1-ium chloride is sourced from PubChem (CID 158901595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).