5-chloro-3,4,4,6,6-pentafluorohexa-1,2,5-triene

C6H2ClF5 — CID 87106570

IUPAC5-chloro-3,4,4,6,6-pentafluorohexa-1,2,5-triene
SMILESC=C=C(F)C(F)(F)C(Cl)=C(F)F
InChIInChI=1S/C6H2ClF5/c1-2-3(8)6(11,12)4(7)5(9)10/h1H2
InChIKeyMUCCJVKCPCNNLL-UHFFFAOYSA-N
MW204.52 g/mol
LogP3.61
Rot. Bonds2

About 5-chloro-3,4,4,6,6-pentafluorohexa-1,2,5-triene

5-chloro-3,4,4,6,6-pentafluorohexa-1,2,5-triene (PubChem CID 87106570) has the molecular formula C6H2ClF5 and a molecular weight of 204.52 g/mol. Its IUPAC name is 5-chloro-3,4,4,6,6-pentafluorohexa-1,2,5-triene.

Molecular Properties

Compound Name5-chloro-3,4,4,6,6-pentafluorohexa-1,2,5-triene
PubChem CID87106570
Molecular FormulaC6H2ClF5
Molecular Weight204.52 g/mol
Exact Mass203.98
IUPAC Name5-chloro-3,4,4,6,6-pentafluorohexa-1,2,5-triene
SMILESC=C=C(F)C(F)(F)C(Cl)=C(F)F
InChIInChI=1S/C6H2ClF5/c1-2-3(8)6(11,12)4(7)5(9)10/h1H2
InChIKeyMUCCJVKCPCNNLL-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.52
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,4,4,6,6-pentafluorohexa-1,2,5-triene?
The IUPAC name of 5-chloro-3,4,4,6,6-pentafluorohexa-1,2,5-triene (CID 87106570) is 5-chloro-3,4,4,6,6-pentafluorohexa-1,2,5-triene.
What is the SMILES notation for 5-chloro-3,4,4,6,6-pentafluorohexa-1,2,5-triene?
The canonical SMILES for 5-chloro-3,4,4,6,6-pentafluorohexa-1,2,5-triene is C=C=C(F)C(F)(F)C(Cl)=C(F)F.
What is the InChIKey of 5-chloro-3,4,4,6,6-pentafluorohexa-1,2,5-triene?
The InChIKey is MUCCJVKCPCNNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF5/c1-2-3(8)6(11,12)4(7)5(9)10/h1H2.
What are the key properties of 5-chloro-3,4,4,6,6-pentafluorohexa-1,2,5-triene?
5-chloro-3,4,4,6,6-pentafluorohexa-1,2,5-triene has a molecular weight of 204.52 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,4,4,6,6-pentafluorohexa-1,2,5-triene is sourced from PubChem (CID 87106570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).