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

C5ClF7 — CID 12530560

IUPAC3-chloro-1,2,3,4,4,5,5-heptafluorocyclopentene
SMILESFC1=C(F)C(F)(Cl)C(F)(F)C1(F)F
InChIInChI=1S/C5ClF7/c6-3(9)1(7)2(8)4(10,11)5(3,12)13
InChIKeyMTXFJQPFMARORW-UHFFFAOYSA-N
MW228.49 g/mol
LogP3.33
Rot. Bonds

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

3-chloro-1,2,3,4,4,5,5-heptafluorocyclopentene (PubChem CID 12530560) has the molecular formula C5ClF7 and a molecular weight of 228.49 g/mol. Its IUPAC name is 3-chloro-1,2,3,4,4,5,5-heptafluorocyclopentene.

Molecular Properties

Compound Name3-chloro-1,2,3,4,4,5,5-heptafluorocyclopentene
PubChem CID12530560
Molecular FormulaC5ClF7
Molecular Weight228.49 g/mol
Exact Mass227.96
IUPAC Name3-chloro-1,2,3,4,4,5,5-heptafluorocyclopentene
SMILESFC1=C(F)C(F)(Cl)C(F)(F)C1(F)F
InChIInChI=1S/C5ClF7/c6-3(9)1(7)2(8)4(10,11)5(3,12)13
InChIKeyMTXFJQPFMARORW-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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3-chloro-1,2,3,4,4,5,5-heptafluorocyclopentene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,2,3,4,4,5,5-heptafluorocyclopentene?
The IUPAC name of 3-chloro-1,2,3,4,4,5,5-heptafluorocyclopentene (CID 12530560) is 3-chloro-1,2,3,4,4,5,5-heptafluorocyclopentene.
What is the SMILES notation for 3-chloro-1,2,3,4,4,5,5-heptafluorocyclopentene?
The canonical SMILES for 3-chloro-1,2,3,4,4,5,5-heptafluorocyclopentene is FC1=C(F)C(F)(Cl)C(F)(F)C1(F)F.
What is the InChIKey of 3-chloro-1,2,3,4,4,5,5-heptafluorocyclopentene?
The InChIKey is MTXFJQPFMARORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5ClF7/c6-3(9)1(7)2(8)4(10,11)5(3,12)13.
What are the key properties of 3-chloro-1,2,3,4,4,5,5-heptafluorocyclopentene?
3-chloro-1,2,3,4,4,5,5-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 3-chloro-1,2,3,4,4,5,5-heptafluorocyclopentene is sourced from PubChem (CID 12530560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).