(E)-3-chloro-1,1,1,4,4-pentafluorobut-2-ene

C4H2ClF5 — CID 155169327

IUPAC(E)-3-chloro-1,1,1,4,4-pentafluorobut-2-ene
SMILESFC(F)/C(Cl)=C\C(F)(F)F
InChIInChI=1S/C4H2ClF5/c5-2(3(6)7)1-4(8,9)10/h1,3H/b2-1+
InChIKeyASGCRBUXUYGLIQ-OWOJBTEDSA-N
MW180.50 g/mol
LogP2.94
Rot. Bonds1

About (E)-3-chloro-1,1,1,4,4-pentafluorobut-2-ene

(E)-3-chloro-1,1,1,4,4-pentafluorobut-2-ene (PubChem CID 155169327) has the molecular formula C4H2ClF5 and a molecular weight of 180.50 g/mol. Its IUPAC name is (E)-3-chloro-1,1,1,4,4-pentafluorobut-2-ene.

Molecular Properties

Compound Name(E)-3-chloro-1,1,1,4,4-pentafluorobut-2-ene
PubChem CID155169327
Molecular FormulaC4H2ClF5
Molecular Weight180.50 g/mol
Exact Mass179.98
IUPAC Name(E)-3-chloro-1,1,1,4,4-pentafluorobut-2-ene
SMILESFC(F)/C(Cl)=C\C(F)(F)F
InChIInChI=1S/C4H2ClF5/c5-2(3(6)7)1-4(8,9)10/h1,3H/b2-1+
InChIKeyASGCRBUXUYGLIQ-OWOJBTEDSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.50
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-1,1,1,4,4-pentafluorobut-2-ene?
The IUPAC name of (E)-3-chloro-1,1,1,4,4-pentafluorobut-2-ene (CID 155169327) is (E)-3-chloro-1,1,1,4,4-pentafluorobut-2-ene.
What is the SMILES notation for (E)-3-chloro-1,1,1,4,4-pentafluorobut-2-ene?
The canonical SMILES for (E)-3-chloro-1,1,1,4,4-pentafluorobut-2-ene is FC(F)/C(Cl)=C\C(F)(F)F.
What is the InChIKey of (E)-3-chloro-1,1,1,4,4-pentafluorobut-2-ene?
The InChIKey is ASGCRBUXUYGLIQ-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H2ClF5/c5-2(3(6)7)1-4(8,9)10/h1,3H/b2-1+.
What are the key properties of (E)-3-chloro-1,1,1,4,4-pentafluorobut-2-ene?
(E)-3-chloro-1,1,1,4,4-pentafluorobut-2-ene has a molecular weight of 180.50 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-1,1,1,4,4-pentafluorobut-2-ene is sourced from PubChem (CID 155169327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).