5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene

C5ClF5 — CID 14024623

IUPAC5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene
SMILESFC1=C(F)C(F)(Cl)C(F)=C1F
InChIInChI=1S/C5ClF5/c6-5(11)3(9)1(7)2(8)4(5)10
InChIKeyFSEXDGCKJWANEQ-UHFFFAOYSA-N
MW190.50 g/mol
LogP3.21
Rot. Bonds

About 5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene

5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene (PubChem CID 14024623) has the molecular formula C5ClF5 and a molecular weight of 190.50 g/mol. Its IUPAC name is 5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene.

Molecular Properties

Compound Name5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene
PubChem CID14024623
Molecular FormulaC5ClF5
Molecular Weight190.50 g/mol
Exact Mass189.96
IUPAC Name5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene
SMILESFC1=C(F)C(F)(Cl)C(F)=C1F
InChIInChI=1S/C5ClF5/c6-5(11)3(9)1(7)2(8)4(5)10
InChIKeyFSEXDGCKJWANEQ-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.50
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-Chloro-2,3,4,5,5-pentafluoro-1,3-cyclopentadiene
CID 13550688
1-Chloro-1,2,3,4,5,5,6,6,7,7,7-undecafluorohepta-1,3-diene
CID 173344552
CID 14024640
CID 14024640

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene?
The IUPAC name of 5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene (CID 14024623) is 5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene.
What is the SMILES notation for 5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene?
The canonical SMILES for 5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene is FC1=C(F)C(F)(Cl)C(F)=C1F.
What is the InChIKey of 5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene?
The InChIKey is FSEXDGCKJWANEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5ClF5/c6-5(11)3(9)1(7)2(8)4(5)10.
What are the key properties of 5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene?
5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene has a molecular weight of 190.50 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene is sourced from PubChem (CID 14024623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).