4-chlorobut-2-enylphosphane

C4H8ClP — CID 139994319

IUPAC4-chlorobut-2-enylphosphane
SMILESPCC=CCCl
InChIInChI=1S/C4H8ClP/c5-3-1-2-4-6/h1-2H,3-4,6H2
InChIKeyJNQSCEIRJOGIFL-UHFFFAOYSA-N
MW122.53 g/mol
LogP1.66
Rot. Bonds2

About 4-chlorobut-2-enylphosphane

4-chlorobut-2-enylphosphane (PubChem CID 139994319) has the molecular formula C4H8ClP and a molecular weight of 122.53 g/mol. Its IUPAC name is 4-chlorobut-2-enylphosphane.

Molecular Properties

Compound Name4-chlorobut-2-enylphosphane
PubChem CID139994319
Molecular FormulaC4H8ClP
Molecular Weight122.53 g/mol
Exact Mass122.01
IUPAC Name4-chlorobut-2-enylphosphane
SMILESPCC=CCCl
InChIInChI=1S/C4H8ClP/c5-3-1-2-4-6/h1-2H,3-4,6H2
InChIKeyJNQSCEIRJOGIFL-UHFFFAOYSA-N
XLogP1.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.53
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1-chloro-5-(5-chloropent-3-enoxy)pent-2-ene
CID 3371850
1,12-dichlorododec-2-ene
CID 171472140
(E)-1,5,5-trichlorohex-2-ene
CID 642188
3-chloroprop-1-enylphosphonic acid
CID 54206738
6-bromo-1-chlorohex-2-ene
CID 171472345
1-chloro-4-ethoxybut-2-ene
CID 567303
(E)-1-chloro-4-methylsulfonylbut-2-ene
CID 55303707
1,5,5-trichloro-6,6,6-trifluorohex-2-ene
CID 71367550
1-chloro-9-iodonona-2,7-diene
CID 74322498
(Z)-1,1,4-trichlorobut-2-ene
CID 102586408

Frequently Asked Questions

What is the IUPAC name of 4-chlorobut-2-enylphosphane?
The IUPAC name of 4-chlorobut-2-enylphosphane (CID 139994319) is 4-chlorobut-2-enylphosphane.
What is the SMILES notation for 4-chlorobut-2-enylphosphane?
The canonical SMILES for 4-chlorobut-2-enylphosphane is PCC=CCCl.
What is the InChIKey of 4-chlorobut-2-enylphosphane?
The InChIKey is JNQSCEIRJOGIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClP/c5-3-1-2-4-6/h1-2H,3-4,6H2.
What are the key properties of 4-chlorobut-2-enylphosphane?
4-chlorobut-2-enylphosphane has a molecular weight of 122.53 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobut-2-enylphosphane is sourced from PubChem (CID 139994319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).