(Z)-1,1,1,2-tetrachloro-4,4,4-trifluorobut-2-ene

C4HCl4F3 — CID 121234505

IUPAC(Z)-1,1,1,2-tetrachloro-4,4,4-trifluorobut-2-ene
SMILESFC(F)(F)/C=C(\Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C4HCl4F3/c5-2(4(6,7)8)1-3(9,10)11/h1H/b2-1-
InChIKeyJHCZHQLFRVCYPU-UPHRSURJSA-N
MW247.86 g/mol
LogP4.04
Rot. Bonds

About (Z)-1,1,1,2-tetrachloro-4,4,4-trifluorobut-2-ene

(Z)-1,1,1,2-tetrachloro-4,4,4-trifluorobut-2-ene (PubChem CID 121234505) has the molecular formula C4HCl4F3 and a molecular weight of 247.86 g/mol. Its IUPAC name is (Z)-1,1,1,2-tetrachloro-4,4,4-trifluorobut-2-ene.

Molecular Properties

Compound Name(Z)-1,1,1,2-tetrachloro-4,4,4-trifluorobut-2-ene
PubChem CID121234505
Molecular FormulaC4HCl4F3
Molecular Weight247.86 g/mol
Exact Mass245.88
IUPAC Name(Z)-1,1,1,2-tetrachloro-4,4,4-trifluorobut-2-ene
SMILESFC(F)(F)/C=C(\Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C4HCl4F3/c5-2(4(6,7)8)1-3(9,10)11/h1H/b2-1-
InChIKeyJHCZHQLFRVCYPU-UPHRSURJSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.86
LogP ≤ 54.04
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 (Z)-1,1,1,2-tetrachloro-4,4,4-trifluorobut-2-ene?
The IUPAC name of (Z)-1,1,1,2-tetrachloro-4,4,4-trifluorobut-2-ene (CID 121234505) is (Z)-1,1,1,2-tetrachloro-4,4,4-trifluorobut-2-ene.
What is the SMILES notation for (Z)-1,1,1,2-tetrachloro-4,4,4-trifluorobut-2-ene?
The canonical SMILES for (Z)-1,1,1,2-tetrachloro-4,4,4-trifluorobut-2-ene is FC(F)(F)/C=C(\Cl)C(Cl)(Cl)Cl.
What is the InChIKey of (Z)-1,1,1,2-tetrachloro-4,4,4-trifluorobut-2-ene?
The InChIKey is JHCZHQLFRVCYPU-UPHRSURJSA-N. The full InChI is InChI=1S/C4HCl4F3/c5-2(4(6,7)8)1-3(9,10)11/h1H/b2-1-.
What are the key properties of (Z)-1,1,1,2-tetrachloro-4,4,4-trifluorobut-2-ene?
(Z)-1,1,1,2-tetrachloro-4,4,4-trifluorobut-2-ene has a molecular weight of 247.86 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,2-tetrachloro-4,4,4-trifluorobut-2-ene is sourced from PubChem (CID 121234505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).