2-chloro-1,1,3,3,6-pentafluorohexa-1,5-diene

C6H4ClF5 — CID 57237290

IUPAC2-chloro-1,1,3,3,6-pentafluorohexa-1,5-diene
SMILESFC=CCC(F)(F)C(Cl)=C(F)F
InChIInChI=1S/C6H4ClF5/c7-4(5(9)10)6(11,12)2-1-3-8/h1,3H,2H2
InChIKeyILUQYJBBLUINFG-UHFFFAOYSA-N
MW206.54 g/mol
LogP3.84
Rot. Bonds3

About 2-chloro-1,1,3,3,6-pentafluorohexa-1,5-diene

2-chloro-1,1,3,3,6-pentafluorohexa-1,5-diene (PubChem CID 57237290) has the molecular formula C6H4ClF5 and a molecular weight of 206.54 g/mol. Its IUPAC name is 2-chloro-1,1,3,3,6-pentafluorohexa-1,5-diene.

Molecular Properties

Compound Name2-chloro-1,1,3,3,6-pentafluorohexa-1,5-diene
PubChem CID57237290
Molecular FormulaC6H4ClF5
Molecular Weight206.54 g/mol
Exact Mass205.99
IUPAC Name2-chloro-1,1,3,3,6-pentafluorohexa-1,5-diene
SMILESFC=CCC(F)(F)C(Cl)=C(F)F
InChIInChI=1S/C6H4ClF5/c7-4(5(9)10)6(11,12)2-1-3-8/h1,3H,2H2
InChIKeyILUQYJBBLUINFG-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.54
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1,3,3,6-pentafluorohexa-1,5-diene?
The IUPAC name of 2-chloro-1,1,3,3,6-pentafluorohexa-1,5-diene (CID 57237290) is 2-chloro-1,1,3,3,6-pentafluorohexa-1,5-diene.
What is the SMILES notation for 2-chloro-1,1,3,3,6-pentafluorohexa-1,5-diene?
The canonical SMILES for 2-chloro-1,1,3,3,6-pentafluorohexa-1,5-diene is FC=CCC(F)(F)C(Cl)=C(F)F.
What is the InChIKey of 2-chloro-1,1,3,3,6-pentafluorohexa-1,5-diene?
The InChIKey is ILUQYJBBLUINFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF5/c7-4(5(9)10)6(11,12)2-1-3-8/h1,3H,2H2.
What are the key properties of 2-chloro-1,1,3,3,6-pentafluorohexa-1,5-diene?
2-chloro-1,1,3,3,6-pentafluorohexa-1,5-diene has a molecular weight of 206.54 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,3,3,6-pentafluorohexa-1,5-diene is sourced from PubChem (CID 57237290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).