2,3,4-trichloro-3,4,4-trifluorobut-1-ene

C4H2Cl3F3 — CID 2776860

IUPAC2,3,4-trichloro-3,4,4-trifluorobut-1-ene
SMILESC=C(Cl)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C4H2Cl3F3/c1-2(5)3(6,8)4(7,9)10/h1H2
InChIKeyWMNITLQHAQGMNO-UHFFFAOYSA-N
MW213.41 g/mol
LogP3.48
Rot. Bonds2

About 2,3,4-trichloro-3,4,4-trifluorobut-1-ene

2,3,4-trichloro-3,4,4-trifluorobut-1-ene (PubChem CID 2776860) has the molecular formula C4H2Cl3F3 and a molecular weight of 213.41 g/mol. Its IUPAC name is 2,3,4-trichloro-3,4,4-trifluorobut-1-ene.

Molecular Properties

Compound Name2,3,4-trichloro-3,4,4-trifluorobut-1-ene
PubChem CID2776860
Molecular FormulaC4H2Cl3F3
Molecular Weight213.41 g/mol
Exact Mass211.92
IUPAC Name2,3,4-trichloro-3,4,4-trifluorobut-1-ene
SMILESC=C(Cl)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C4H2Cl3F3/c1-2(5)3(6,8)4(7,9)10/h1H2
InChIKeyWMNITLQHAQGMNO-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trichloro-3,4,4-trifluorobut-1-ene?
The IUPAC name of 2,3,4-trichloro-3,4,4-trifluorobut-1-ene (CID 2776860) is 2,3,4-trichloro-3,4,4-trifluorobut-1-ene.
What is the SMILES notation for 2,3,4-trichloro-3,4,4-trifluorobut-1-ene?
The canonical SMILES for 2,3,4-trichloro-3,4,4-trifluorobut-1-ene is C=C(Cl)C(F)(Cl)C(F)(F)Cl.
What is the InChIKey of 2,3,4-trichloro-3,4,4-trifluorobut-1-ene?
The InChIKey is WMNITLQHAQGMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl3F3/c1-2(5)3(6,8)4(7,9)10/h1H2.
What are the key properties of 2,3,4-trichloro-3,4,4-trifluorobut-1-ene?
2,3,4-trichloro-3,4,4-trifluorobut-1-ene has a molecular weight of 213.41 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trichloro-3,4,4-trifluorobut-1-ene is sourced from PubChem (CID 2776860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).