1,1,1-trichloro-3-methyl-2,5-dihydro-1λ5-phosphole

C5H8Cl3P — CID 11041900

IUPAC1,1,1-trichloro-3-methyl-2,5-dihydro-1λ5-phosphole
SMILESCC1=CCP(Cl)(Cl)(Cl)C1
InChIInChI=1S/C5H8Cl3P/c1-5-2-3-9(6,7,8)4-5/h2H,3-4H2,1H3
InChIKeyBDZGALURHIGGMU-UHFFFAOYSA-N
MW205.45 g/mol
LogP3.96
Rot. Bonds

About 1,1,1-trichloro-3-methyl-2,5-dihydro-1λ5-phosphole

1,1,1-trichloro-3-methyl-2,5-dihydro-1λ5-phosphole (PubChem CID 11041900) has the molecular formula C5H8Cl3P and a molecular weight of 205.45 g/mol. Its IUPAC name is 1,1,1-trichloro-3-methyl-2,5-dihydro-1λ5-phosphole.

Molecular Properties

Compound Name1,1,1-trichloro-3-methyl-2,5-dihydro-1λ5-phosphole
PubChem CID11041900
Molecular FormulaC5H8Cl3P
Molecular Weight205.45 g/mol
Exact Mass203.94
IUPAC Name1,1,1-trichloro-3-methyl-2,5-dihydro-1λ5-phosphole
SMILESCC1=CCP(Cl)(Cl)(Cl)C1
InChIInChI=1S/C5H8Cl3P/c1-5-2-3-9(6,7,8)4-5/h2H,3-4H2,1H3
InChIKeyBDZGALURHIGGMU-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
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 1,1,1-trichloro-3-methyl-2,5-dihydro-1λ5-phosphole?
The IUPAC name of 1,1,1-trichloro-3-methyl-2,5-dihydro-1λ5-phosphole (CID 11041900) is 1,1,1-trichloro-3-methyl-2,5-dihydro-1λ5-phosphole.
What is the SMILES notation for 1,1,1-trichloro-3-methyl-2,5-dihydro-1λ5-phosphole?
The canonical SMILES for 1,1,1-trichloro-3-methyl-2,5-dihydro-1λ5-phosphole is CC1=CCP(Cl)(Cl)(Cl)C1.
What is the InChIKey of 1,1,1-trichloro-3-methyl-2,5-dihydro-1λ5-phosphole?
The InChIKey is BDZGALURHIGGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl3P/c1-5-2-3-9(6,7,8)4-5/h2H,3-4H2,1H3.
What are the key properties of 1,1,1-trichloro-3-methyl-2,5-dihydro-1λ5-phosphole?
1,1,1-trichloro-3-methyl-2,5-dihydro-1λ5-phosphole has a molecular weight of 205.45 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trichloro-3-methyl-2,5-dihydro-1λ5-phosphole is sourced from PubChem (CID 11041900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).