1,2-dichloro-1,3,3,4-tetrafluorobut-1-ene

C4H2Cl2F4 — CID 54067312

IUPAC1,2-dichloro-1,3,3,4-tetrafluorobut-1-ene
SMILESFCC(F)(F)C(Cl)=C(F)Cl
InChIInChI=1S/C4H2Cl2F4/c5-2(3(6)8)4(9,10)1-7/h1H2
InChIKeyMDXNGDBQCRJRAA-UHFFFAOYSA-N
MW196.96 g/mol
LogP3.21
Rot. Bonds2

About 1,2-dichloro-1,3,3,4-tetrafluorobut-1-ene

1,2-dichloro-1,3,3,4-tetrafluorobut-1-ene (PubChem CID 54067312) has the molecular formula C4H2Cl2F4 and a molecular weight of 196.96 g/mol. Its IUPAC name is 1,2-dichloro-1,3,3,4-tetrafluorobut-1-ene.

Molecular Properties

Compound Name1,2-dichloro-1,3,3,4-tetrafluorobut-1-ene
PubChem CID54067312
Molecular FormulaC4H2Cl2F4
Molecular Weight196.96 g/mol
Exact Mass195.95
IUPAC Name1,2-dichloro-1,3,3,4-tetrafluorobut-1-ene
SMILESFCC(F)(F)C(Cl)=C(F)Cl
InChIInChI=1S/C4H2Cl2F4/c5-2(3(6)8)4(9,10)1-7/h1H2
InChIKeyMDXNGDBQCRJRAA-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.96
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-1,3,3,4-tetrafluorobut-1-ene?
The IUPAC name of 1,2-dichloro-1,3,3,4-tetrafluorobut-1-ene (CID 54067312) is 1,2-dichloro-1,3,3,4-tetrafluorobut-1-ene.
What is the SMILES notation for 1,2-dichloro-1,3,3,4-tetrafluorobut-1-ene?
The canonical SMILES for 1,2-dichloro-1,3,3,4-tetrafluorobut-1-ene is FCC(F)(F)C(Cl)=C(F)Cl.
What is the InChIKey of 1,2-dichloro-1,3,3,4-tetrafluorobut-1-ene?
The InChIKey is MDXNGDBQCRJRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2F4/c5-2(3(6)8)4(9,10)1-7/h1H2.
What are the key properties of 1,2-dichloro-1,3,3,4-tetrafluorobut-1-ene?
1,2-dichloro-1,3,3,4-tetrafluorobut-1-ene has a molecular weight of 196.96 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-1,3,3,4-tetrafluorobut-1-ene is sourced from PubChem (CID 54067312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).