1-tert-butyl-2-chloro-3,3,4,4,5,5-hexafluorocyclopentene

C9H9ClF6 — CID 139243157

IUPAC1-tert-butyl-2-chloro-3,3,4,4,5,5-hexafluorocyclopentene
SMILESCC(C)(C)C1=C(Cl)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9ClF6/c1-6(2,3)4-5(10)8(13,14)9(15,16)7(4,11)12/h1-3H3
InChIKeyFJOGAPDFYBPBFT-UHFFFAOYSA-N
MW266.61 g/mol
LogP4.44
Rot. Bonds

About 1-tert-butyl-2-chloro-3,3,4,4,5,5-hexafluorocyclopentene

1-tert-butyl-2-chloro-3,3,4,4,5,5-hexafluorocyclopentene (PubChem CID 139243157) has the molecular formula C9H9ClF6 and a molecular weight of 266.61 g/mol. Its IUPAC name is 1-tert-butyl-2-chloro-3,3,4,4,5,5-hexafluorocyclopentene.

Molecular Properties

Compound Name1-tert-butyl-2-chloro-3,3,4,4,5,5-hexafluorocyclopentene
PubChem CID139243157
Molecular FormulaC9H9ClF6
Molecular Weight266.61 g/mol
Exact Mass266.03
IUPAC Name1-tert-butyl-2-chloro-3,3,4,4,5,5-hexafluorocyclopentene
SMILESCC(C)(C)C1=C(Cl)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9ClF6/c1-6(2,3)4-5(10)8(13,14)9(15,16)7(4,11)12/h1-3H3
InChIKeyFJOGAPDFYBPBFT-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.61
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Chloro-2-(perfluoro-t-butyl)hexafluorocyclopent-1-ene
CID 15474251
1-Tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene
CID 170031264
1-Tert-butyl-2,3,3,4,4,5,5-heptafluorocyclopentene;hydrofluoride
CID 175434745

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-chloro-3,3,4,4,5,5-hexafluorocyclopentene?
The IUPAC name of 1-tert-butyl-2-chloro-3,3,4,4,5,5-hexafluorocyclopentene (CID 139243157) is 1-tert-butyl-2-chloro-3,3,4,4,5,5-hexafluorocyclopentene.
What is the SMILES notation for 1-tert-butyl-2-chloro-3,3,4,4,5,5-hexafluorocyclopentene?
The canonical SMILES for 1-tert-butyl-2-chloro-3,3,4,4,5,5-hexafluorocyclopentene is CC(C)(C)C1=C(Cl)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-tert-butyl-2-chloro-3,3,4,4,5,5-hexafluorocyclopentene?
The InChIKey is FJOGAPDFYBPBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF6/c1-6(2,3)4-5(10)8(13,14)9(15,16)7(4,11)12/h1-3H3.
What are the key properties of 1-tert-butyl-2-chloro-3,3,4,4,5,5-hexafluorocyclopentene?
1-tert-butyl-2-chloro-3,3,4,4,5,5-hexafluorocyclopentene has a molecular weight of 266.61 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-chloro-3,3,4,4,5,5-hexafluorocyclopentene is sourced from PubChem (CID 139243157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).