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

C4H2Cl3F3 — CID 19377178

IUPAC1,1,2-trichloro-4,4,4-trifluorobut-1-ene
SMILESFC(F)(F)CC(Cl)=C(Cl)Cl
InChIInChI=1S/C4H2Cl3F3/c5-2(3(6)7)1-4(8,9)10/h1H2
InChIKeyQAGUTLGNHWNDBP-UHFFFAOYSA-N
MW213.41 g/mol
LogP3.82
Rot. Bonds1

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

1,1,2-trichloro-4,4,4-trifluorobut-1-ene (PubChem CID 19377178) has the molecular formula C4H2Cl3F3 and a molecular weight of 213.41 g/mol. Its IUPAC name is 1,1,2-trichloro-4,4,4-trifluorobut-1-ene.

Molecular Properties

Compound Name1,1,2-trichloro-4,4,4-trifluorobut-1-ene
PubChem CID19377178
Molecular FormulaC4H2Cl3F3
Molecular Weight213.41 g/mol
Exact Mass211.92
IUPAC Name1,1,2-trichloro-4,4,4-trifluorobut-1-ene
SMILESFC(F)(F)CC(Cl)=C(Cl)Cl
InChIInChI=1S/C4H2Cl3F3/c5-2(3(6)7)1-4(8,9)10/h1H2
InChIKeyQAGUTLGNHWNDBP-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trichloro-4,4,4-trifluorobut-1-ene?
The IUPAC name of 1,1,2-trichloro-4,4,4-trifluorobut-1-ene (CID 19377178) is 1,1,2-trichloro-4,4,4-trifluorobut-1-ene.
What is the SMILES notation for 1,1,2-trichloro-4,4,4-trifluorobut-1-ene?
The canonical SMILES for 1,1,2-trichloro-4,4,4-trifluorobut-1-ene is FC(F)(F)CC(Cl)=C(Cl)Cl.
What is the InChIKey of 1,1,2-trichloro-4,4,4-trifluorobut-1-ene?
The InChIKey is QAGUTLGNHWNDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl3F3/c5-2(3(6)7)1-4(8,9)10/h1H2.
What are the key properties of 1,1,2-trichloro-4,4,4-trifluorobut-1-ene?
1,1,2-trichloro-4,4,4-trifluorobut-1-ene has a molecular weight of 213.41 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trichloro-4,4,4-trifluorobut-1-ene is sourced from PubChem (CID 19377178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).