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

C4HCl3F4 — CID 139906496

IUPAC2,4,4-trichloro-1,1,1,3-tetrafluorobut-2-ene
SMILESFC(=C(Cl)C(F)(F)F)C(Cl)Cl
InChIInChI=1S/C4HCl3F4/c5-2(4(9,10)11)1(8)3(6)7/h3H
InChIKeyMUWCCAYZGZQNGK-UHFFFAOYSA-N
MW231.40 g/mol
LogP3.77
Rot. Bonds1

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

2,4,4-trichloro-1,1,1,3-tetrafluorobut-2-ene (PubChem CID 139906496) has the molecular formula C4HCl3F4 and a molecular weight of 231.40 g/mol. Its IUPAC name is 2,4,4-trichloro-1,1,1,3-tetrafluorobut-2-ene.

Molecular Properties

Compound Name2,4,4-trichloro-1,1,1,3-tetrafluorobut-2-ene
PubChem CID139906496
Molecular FormulaC4HCl3F4
Molecular Weight231.40 g/mol
Exact Mass229.91
IUPAC Name2,4,4-trichloro-1,1,1,3-tetrafluorobut-2-ene
SMILESFC(=C(Cl)C(F)(F)F)C(Cl)Cl
InChIInChI=1S/C4HCl3F4/c5-2(4(9,10)11)1(8)3(6)7/h3H
InChIKeyMUWCCAYZGZQNGK-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 53.77
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 2,4,4-trichloro-1,1,1,3-tetrafluorobut-2-ene?
The IUPAC name of 2,4,4-trichloro-1,1,1,3-tetrafluorobut-2-ene (CID 139906496) is 2,4,4-trichloro-1,1,1,3-tetrafluorobut-2-ene.
What is the SMILES notation for 2,4,4-trichloro-1,1,1,3-tetrafluorobut-2-ene?
The canonical SMILES for 2,4,4-trichloro-1,1,1,3-tetrafluorobut-2-ene is FC(=C(Cl)C(F)(F)F)C(Cl)Cl.
What is the InChIKey of 2,4,4-trichloro-1,1,1,3-tetrafluorobut-2-ene?
The InChIKey is MUWCCAYZGZQNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl3F4/c5-2(4(9,10)11)1(8)3(6)7/h3H.
What are the key properties of 2,4,4-trichloro-1,1,1,3-tetrafluorobut-2-ene?
2,4,4-trichloro-1,1,1,3-tetrafluorobut-2-ene has a molecular weight of 231.40 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trichloro-1,1,1,3-tetrafluorobut-2-ene is sourced from PubChem (CID 139906496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).