(3E)-4-chloro-1,1,2,3-tetrafluorobuta-1,3-diene

C4HClF4 — CID 23262586

IUPAC(3E)-4-chloro-1,1,2,3-tetrafluorobuta-1,3-diene
SMILESFC(F)=C(F)/C(F)=C\Cl
InChIInChI=1S/C4HClF4/c5-1-2(6)3(7)4(8)9/h1H/b2-1+
InChIKeyCKKWIZMQPJGQOS-OWOJBTEDSA-N
MW160.50 g/mol
LogP3.11
Rot. Bonds1

About (3E)-4-chloro-1,1,2,3-tetrafluorobuta-1,3-diene

(3E)-4-chloro-1,1,2,3-tetrafluorobuta-1,3-diene (PubChem CID 23262586) has the molecular formula C4HClF4 and a molecular weight of 160.50 g/mol. Its IUPAC name is (3E)-4-chloro-1,1,2,3-tetrafluorobuta-1,3-diene.

Molecular Properties

Compound Name(3E)-4-chloro-1,1,2,3-tetrafluorobuta-1,3-diene
PubChem CID23262586
Molecular FormulaC4HClF4
Molecular Weight160.50 g/mol
Exact Mass159.97
IUPAC Name(3E)-4-chloro-1,1,2,3-tetrafluorobuta-1,3-diene
SMILESFC(F)=C(F)/C(F)=C\Cl
InChIInChI=1S/C4HClF4/c5-1-2(6)3(7)4(8)9/h1H/b2-1+
InChIKeyCKKWIZMQPJGQOS-OWOJBTEDSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.50
LogP ≤ 53.11
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 (3E)-4-chloro-1,1,2,3-tetrafluorobuta-1,3-diene?
The IUPAC name of (3E)-4-chloro-1,1,2,3-tetrafluorobuta-1,3-diene (CID 23262586) is (3E)-4-chloro-1,1,2,3-tetrafluorobuta-1,3-diene.
What is the SMILES notation for (3E)-4-chloro-1,1,2,3-tetrafluorobuta-1,3-diene?
The canonical SMILES for (3E)-4-chloro-1,1,2,3-tetrafluorobuta-1,3-diene is FC(F)=C(F)/C(F)=C\Cl.
What is the InChIKey of (3E)-4-chloro-1,1,2,3-tetrafluorobuta-1,3-diene?
The InChIKey is CKKWIZMQPJGQOS-OWOJBTEDSA-N. The full InChI is InChI=1S/C4HClF4/c5-1-2(6)3(7)4(8)9/h1H/b2-1+.
What are the key properties of (3E)-4-chloro-1,1,2,3-tetrafluorobuta-1,3-diene?
(3E)-4-chloro-1,1,2,3-tetrafluorobuta-1,3-diene has a molecular weight of 160.50 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-chloro-1,1,2,3-tetrafluorobuta-1,3-diene is sourced from PubChem (CID 23262586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).