1-chloro-2,3,3,4,4,5,5-heptafluorocyclopentene

C5ClF7 — CID 11031637

IUPAC1-chloro-2,3,3,4,4,5,5-heptafluorocyclopentene
SMILESFC1=C(Cl)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5ClF7/c6-1-2(7)4(10,11)5(12,13)3(1,8)9
InChIKeyXUMFLKOMBYRBCK-UHFFFAOYSA-N
MW228.49 g/mol
LogP3.33
Rot. Bonds

About 1-chloro-2,3,3,4,4,5,5-heptafluorocyclopentene

1-chloro-2,3,3,4,4,5,5-heptafluorocyclopentene (PubChem CID 11031637) has the molecular formula C5ClF7 and a molecular weight of 228.49 g/mol. Its IUPAC name is 1-chloro-2,3,3,4,4,5,5-heptafluorocyclopentene.

Molecular Properties

Compound Name1-chloro-2,3,3,4,4,5,5-heptafluorocyclopentene
PubChem CID11031637
Molecular FormulaC5ClF7
Molecular Weight228.49 g/mol
Exact Mass227.96
IUPAC Name1-chloro-2,3,3,4,4,5,5-heptafluorocyclopentene
SMILESFC1=C(Cl)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5ClF7/c6-1-2(7)4(10,11)5(12,13)3(1,8)9
InChIKeyXUMFLKOMBYRBCK-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.49
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3,3,4,4,5,5-heptafluorocyclopentene?
The IUPAC name of 1-chloro-2,3,3,4,4,5,5-heptafluorocyclopentene (CID 11031637) is 1-chloro-2,3,3,4,4,5,5-heptafluorocyclopentene.
What is the SMILES notation for 1-chloro-2,3,3,4,4,5,5-heptafluorocyclopentene?
The canonical SMILES for 1-chloro-2,3,3,4,4,5,5-heptafluorocyclopentene is FC1=C(Cl)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-chloro-2,3,3,4,4,5,5-heptafluorocyclopentene?
The InChIKey is XUMFLKOMBYRBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5ClF7/c6-1-2(7)4(10,11)5(12,13)3(1,8)9.
What are the key properties of 1-chloro-2,3,3,4,4,5,5-heptafluorocyclopentene?
1-chloro-2,3,3,4,4,5,5-heptafluorocyclopentene has a molecular weight of 228.49 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3,3,4,4,5,5-heptafluorocyclopentene is sourced from PubChem (CID 11031637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).