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

C9H9F7 — CID 86073285

IUPAC1-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene
SMILESCCCCC1=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9F7/c1-2-3-4-5-6(10)8(13,14)9(15,16)7(5,11)12/h2-4H2,1H3
InChIKeyPQKAHYURRUTACU-UHFFFAOYSA-N
MW250.16 g/mol
LogP4.32
Rot. Bonds3

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

1-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene (PubChem CID 86073285) has the molecular formula C9H9F7 and a molecular weight of 250.16 g/mol. Its IUPAC name is 1-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene.

Molecular Properties

Compound Name1-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene
PubChem CID86073285
Molecular FormulaC9H9F7
Molecular Weight250.16 g/mol
Exact Mass250.06
IUPAC Name1-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene
SMILESCCCCC1=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9F7/c1-2-3-4-5-6(10)8(13,14)9(15,16)7(5,11)12/h2-4H2,1H3
InChIKeyPQKAHYURRUTACU-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-butyl-2,3,3,4,4,5,5-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 1-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene?
The IUPAC name of 1-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene (CID 86073285) is 1-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene.
What is the SMILES notation for 1-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene?
The canonical SMILES for 1-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene is CCCCC1=C(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene?
The InChIKey is PQKAHYURRUTACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F7/c1-2-3-4-5-6(10)8(13,14)9(15,16)7(5,11)12/h2-4H2,1H3.
What are the key properties of 1-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene?
1-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene has a molecular weight of 250.16 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene is sourced from PubChem (CID 86073285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).