4-dichlorophosphoryl-4,4-difluorobut-1-ene

C4H5Cl2F2OP — CID 146291479

IUPAC4-dichlorophosphoryl-4,4-difluorobut-1-ene
SMILESC=CCC(F)(F)P(=O)(Cl)Cl
InChIInChI=1S/C4H5Cl2F2OP/c1-2-3-4(7,8)10(5,6)9/h2H,1,3H2
InChIKeyCOGKZXYUPMEFOD-UHFFFAOYSA-N
MW208.96 g/mol
LogP3.83
Rot. Bonds3

About 4-dichlorophosphoryl-4,4-difluorobut-1-ene

4-dichlorophosphoryl-4,4-difluorobut-1-ene (PubChem CID 146291479) has the molecular formula C4H5Cl2F2OP and a molecular weight of 208.96 g/mol. Its IUPAC name is 4-dichlorophosphoryl-4,4-difluorobut-1-ene.

Molecular Properties

Compound Name4-dichlorophosphoryl-4,4-difluorobut-1-ene
PubChem CID146291479
Molecular FormulaC4H5Cl2F2OP
Molecular Weight208.96 g/mol
Exact Mass207.94
IUPAC Name4-dichlorophosphoryl-4,4-difluorobut-1-ene
SMILESC=CCC(F)(F)P(=O)(Cl)Cl
InChIInChI=1S/C4H5Cl2F2OP/c1-2-3-4(7,8)10(5,6)9/h2H,1,3H2
InChIKeyCOGKZXYUPMEFOD-UHFFFAOYSA-N
XLogP3.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.96
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-dichlorophosphoryl-4,4-difluorobut-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;4,4,4-trifluorobut-1-ene
CID 166791740
methane;4,4,4-trifluorobut-1-ene
CID 157244358
3,3-difluorohexa-1,5-diene
CID 90930184
(2R)-2-fluoro-2-methylpent-4-en-1-ol
CID 57283986
3-dichlorophosphorylprop-1-ene;phosphoryl trichloride
CID 174369495
4,5,5,5-tetrafluoro-4-methylpent-1-ene
CID 58901177
2-[[chloro(prop-2-enoxy)phosphoryl]peroxymethyl]-3,3,3-trifluoroprop-1-ene
CID 175871020
2,2-bis(prop-2-enyl)pent-4-enoyl chloride
CID 18943909
[5-chloro-3-(2-chloroethyl)pent-1-en-3-yl]-dioxido-oxo-λ5-phosphane
CID 22756743
5-fluoro-4,4-bis(fluoromethyl)pent-1-ene
CID 57192744
4-chloro-4-methylpent-1-ene
CID 14174361
1,1,1,2,3,3-hexafluorohex-5-en-2-ol
CID 23508681

Frequently Asked Questions

What is the IUPAC name of 4-dichlorophosphoryl-4,4-difluorobut-1-ene?
The IUPAC name of 4-dichlorophosphoryl-4,4-difluorobut-1-ene (CID 146291479) is 4-dichlorophosphoryl-4,4-difluorobut-1-ene.
What is the SMILES notation for 4-dichlorophosphoryl-4,4-difluorobut-1-ene?
The canonical SMILES for 4-dichlorophosphoryl-4,4-difluorobut-1-ene is C=CCC(F)(F)P(=O)(Cl)Cl.
What is the InChIKey of 4-dichlorophosphoryl-4,4-difluorobut-1-ene?
The InChIKey is COGKZXYUPMEFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Cl2F2OP/c1-2-3-4(7,8)10(5,6)9/h2H,1,3H2.
What are the key properties of 4-dichlorophosphoryl-4,4-difluorobut-1-ene?
4-dichlorophosphoryl-4,4-difluorobut-1-ene has a molecular weight of 208.96 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dichlorophosphoryl-4,4-difluorobut-1-ene is sourced from PubChem (CID 146291479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).