(4Z)-5-chloro-1,1,2,3,3,4-hexafluoropenta-1,4-diene

C5HClF6 — CID 12626929

IUPAC(4Z)-5-chloro-1,1,2,3,3,4-hexafluoropenta-1,4-diene
SMILESFC(F)=C(F)C(F)(F)/C(F)=C/Cl
InChIInChI=1S/C5HClF6/c6-1-2(7)5(11,12)3(8)4(9)10/h1H/b2-1-
InChIKeyXDIAZYOUDONKCD-UPHRSURJSA-N
MW210.50 g/mol
LogP3.75
Rot. Bonds2

About (4Z)-5-chloro-1,1,2,3,3,4-hexafluoropenta-1,4-diene

(4Z)-5-chloro-1,1,2,3,3,4-hexafluoropenta-1,4-diene (PubChem CID 12626929) has the molecular formula C5HClF6 and a molecular weight of 210.50 g/mol. Its IUPAC name is (4Z)-5-chloro-1,1,2,3,3,4-hexafluoropenta-1,4-diene.

Molecular Properties

Compound Name(4Z)-5-chloro-1,1,2,3,3,4-hexafluoropenta-1,4-diene
PubChem CID12626929
Molecular FormulaC5HClF6
Molecular Weight210.50 g/mol
Exact Mass209.97
IUPAC Name(4Z)-5-chloro-1,1,2,3,3,4-hexafluoropenta-1,4-diene
SMILESFC(F)=C(F)C(F)(F)/C(F)=C/Cl
InChIInChI=1S/C5HClF6/c6-1-2(7)5(11,12)3(8)4(9)10/h1H/b2-1-
InChIKeyXDIAZYOUDONKCD-UPHRSURJSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.50
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4Z)-5-chloro-1,1,2,3,3,4-hexafluoropenta-1,4-diene?
The IUPAC name of (4Z)-5-chloro-1,1,2,3,3,4-hexafluoropenta-1,4-diene (CID 12626929) is (4Z)-5-chloro-1,1,2,3,3,4-hexafluoropenta-1,4-diene.
What is the SMILES notation for (4Z)-5-chloro-1,1,2,3,3,4-hexafluoropenta-1,4-diene?
The canonical SMILES for (4Z)-5-chloro-1,1,2,3,3,4-hexafluoropenta-1,4-diene is FC(F)=C(F)C(F)(F)/C(F)=C/Cl.
What is the InChIKey of (4Z)-5-chloro-1,1,2,3,3,4-hexafluoropenta-1,4-diene?
The InChIKey is XDIAZYOUDONKCD-UPHRSURJSA-N. The full InChI is InChI=1S/C5HClF6/c6-1-2(7)5(11,12)3(8)4(9)10/h1H/b2-1-.
What are the key properties of (4Z)-5-chloro-1,1,2,3,3,4-hexafluoropenta-1,4-diene?
(4Z)-5-chloro-1,1,2,3,3,4-hexafluoropenta-1,4-diene has a molecular weight of 210.50 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-chloro-1,1,2,3,3,4-hexafluoropenta-1,4-diene is sourced from PubChem (CID 12626929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).