2-chloro-1,1-difluorobuta-1,3-diene

C4H3ClF2 — CID 2773554

IUPAC2-chloro-1,1-difluorobuta-1,3-diene
SMILESC=CC(Cl)=C(F)F
InChIInChI=1S/C4H3ClF2/c1-2-3(5)4(6)7/h2H,1H2
InChIKeyHVTSUTQWLSPXAS-UHFFFAOYSA-N
MW124.52 g/mol
LogP2.52
Rot. Bonds1

About 2-chloro-1,1-difluorobuta-1,3-diene

2-chloro-1,1-difluorobuta-1,3-diene (PubChem CID 2773554) has the molecular formula C4H3ClF2 and a molecular weight of 124.52 g/mol. Its IUPAC name is 2-chloro-1,1-difluorobuta-1,3-diene.

Molecular Properties

Compound Name2-chloro-1,1-difluorobuta-1,3-diene
PubChem CID2773554
Molecular FormulaC4H3ClF2
Molecular Weight124.52 g/mol
Exact Mass123.99
IUPAC Name2-chloro-1,1-difluorobuta-1,3-diene
SMILESC=CC(Cl)=C(F)F
InChIInChI=1S/C4H3ClF2/c1-2-3(5)4(6)7/h2H,1H2
InChIKeyHVTSUTQWLSPXAS-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.52
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1-difluorobuta-1,3-diene?
The IUPAC name of 2-chloro-1,1-difluorobuta-1,3-diene (CID 2773554) is 2-chloro-1,1-difluorobuta-1,3-diene.
What is the SMILES notation for 2-chloro-1,1-difluorobuta-1,3-diene?
The canonical SMILES for 2-chloro-1,1-difluorobuta-1,3-diene is C=CC(Cl)=C(F)F.
What is the InChIKey of 2-chloro-1,1-difluorobuta-1,3-diene?
The InChIKey is HVTSUTQWLSPXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClF2/c1-2-3(5)4(6)7/h2H,1H2.
What are the key properties of 2-chloro-1,1-difluorobuta-1,3-diene?
2-chloro-1,1-difluorobuta-1,3-diene has a molecular weight of 124.52 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1-difluorobuta-1,3-diene is sourced from PubChem (CID 2773554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).