butyl(dichloro)phosphane

C4H9Cl2P — CID 2785244

IUPACbutyl(dichloro)phosphane
SMILESCCCCP(Cl)Cl
InChIInChI=1S/C4H9Cl2P/c1-2-3-4-7(5)6/h2-4H2,1H3
InChIKeyIKNPUBSFLQLSLS-UHFFFAOYSA-N
MW159.00 g/mol
LogP3.58
Rot. Bonds3

About butyl(dichloro)phosphane

butyl(dichloro)phosphane (PubChem CID 2785244) has the molecular formula C4H9Cl2P and a molecular weight of 159.00 g/mol. Its IUPAC name is butyl(dichloro)phosphane.

Molecular Properties

Compound Namebutyl(dichloro)phosphane
PubChem CID2785244
Molecular FormulaC4H9Cl2P
Molecular Weight159.00 g/mol
Exact Mass157.98
IUPAC Namebutyl(dichloro)phosphane
SMILESCCCCP(Cl)Cl
InChIInChI=1S/C4H9Cl2P/c1-2-3-4-7(5)6/h2-4H2,1H3
InChIKeyIKNPUBSFLQLSLS-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.00
LogP ≤ 53.58
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 butyl(dichloro)phosphane?
The IUPAC name of butyl(dichloro)phosphane (CID 2785244) is butyl(dichloro)phosphane.
What is the SMILES notation for butyl(dichloro)phosphane?
The canonical SMILES for butyl(dichloro)phosphane is CCCCP(Cl)Cl.
What is the InChIKey of butyl(dichloro)phosphane?
The InChIKey is IKNPUBSFLQLSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl2P/c1-2-3-4-7(5)6/h2-4H2,1H3.
What are the key properties of butyl(dichloro)phosphane?
butyl(dichloro)phosphane has a molecular weight of 159.00 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(dichloro)phosphane is sourced from PubChem (CID 2785244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).