3-chloro-1,1,2-trifluorobuta-1,3-diene

C4H2ClF3 — CID 55250302

IUPAC3-chloro-1,1,2-trifluorobuta-1,3-diene
SMILESC=C(Cl)C(F)=C(F)F
InChIInChI=1S/C4H2ClF3/c1-2(5)3(6)4(7)8/h1H2
InChIKeyYNTABMMMJSQVIY-UHFFFAOYSA-N
MW142.51 g/mol
LogP2.82
Rot. Bonds1

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

3-chloro-1,1,2-trifluorobuta-1,3-diene (PubChem CID 55250302) has the molecular formula C4H2ClF3 and a molecular weight of 142.51 g/mol. Its IUPAC name is 3-chloro-1,1,2-trifluorobuta-1,3-diene.

Molecular Properties

Compound Name3-chloro-1,1,2-trifluorobuta-1,3-diene
PubChem CID55250302
Molecular FormulaC4H2ClF3
Molecular Weight142.51 g/mol
Exact Mass141.98
IUPAC Name3-chloro-1,1,2-trifluorobuta-1,3-diene
SMILESC=C(Cl)C(F)=C(F)F
InChIInChI=1S/C4H2ClF3/c1-2(5)3(6)4(7)8/h1H2
InChIKeyYNTABMMMJSQVIY-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.51
LogP ≤ 52.82
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 3-chloro-1,1,2-trifluorobuta-1,3-diene?
The IUPAC name of 3-chloro-1,1,2-trifluorobuta-1,3-diene (CID 55250302) is 3-chloro-1,1,2-trifluorobuta-1,3-diene.
What is the SMILES notation for 3-chloro-1,1,2-trifluorobuta-1,3-diene?
The canonical SMILES for 3-chloro-1,1,2-trifluorobuta-1,3-diene is C=C(Cl)C(F)=C(F)F.
What is the InChIKey of 3-chloro-1,1,2-trifluorobuta-1,3-diene?
The InChIKey is YNTABMMMJSQVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClF3/c1-2(5)3(6)4(7)8/h1H2.
What are the key properties of 3-chloro-1,1,2-trifluorobuta-1,3-diene?
3-chloro-1,1,2-trifluorobuta-1,3-diene has a molecular weight of 142.51 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,1,2-trifluorobuta-1,3-diene is sourced from PubChem (CID 55250302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).