2,3,3,4,4-pentafluoro-1-methylcyclopentene

C6H5F5 — CID 87084299

IUPAC2,3,3,4,4-pentafluoro-1-methylcyclopentene
SMILESCC1=C(F)C(F)(F)C(F)(F)C1
InChIInChI=1S/C6H5F5/c1-3-2-5(8,9)6(10,11)4(3)7/h2H2,1H3
InChIKeyXTBJJBSXRPHWJM-UHFFFAOYSA-N
MW172.10 g/mol
LogP2.90
Rot. Bonds

About 2,3,3,4,4-pentafluoro-1-methylcyclopentene

2,3,3,4,4-pentafluoro-1-methylcyclopentene (PubChem CID 87084299) has the molecular formula C6H5F5 and a molecular weight of 172.10 g/mol. Its IUPAC name is 2,3,3,4,4-pentafluoro-1-methylcyclopentene.

Molecular Properties

Compound Name2,3,3,4,4-pentafluoro-1-methylcyclopentene
PubChem CID87084299
Molecular FormulaC6H5F5
Molecular Weight172.10 g/mol
Exact Mass172.03
IUPAC Name2,3,3,4,4-pentafluoro-1-methylcyclopentene
SMILESCC1=C(F)C(F)(F)C(F)(F)C1
InChIInChI=1S/C6H5F5/c1-3-2-5(8,9)6(10,11)4(3)7/h2H2,1H3
InChIKeyXTBJJBSXRPHWJM-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 52.90
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

Cyclohexene, 1-methylnonafluoro-
CID 69538
1-Fluoro-2-methylcyclopent-1-ene
CID 21583825
3,3,4,4-Tetrafluoro-1,2-dimethyl-cyclobutene
CID 21731275
1-Butylheptafluoroisobutene
CID 23264459
3,3,4,4,5,5-Hexafluoro-1-(trifluoromethyl)cyclopentene
CID 15474242
3,3-Difluoro-1,2-bis(trifluoromethyl)cyclopentene
CID 18520921
2,3,3-Trifluoro-1-(trifluoromethyl)cyclopentene
CID 18520944
1,3,3,4,5,5-Hexafluoro-2,4-dimethylcyclopentene
CID 20668716
1,1,1,2,2,6,6,7,7,7-Decafluoro-4-(1,1,1-trifluoropropan-2-ylidene)heptane
CID 20676945
3,3,4,4,5,5-Hexafluoro-1,2-dimethylcyclopentene
CID 20753605
1-Methyl-2,3,3,4,4,5,5-heptafluorocyclopentene
CID 21731928
3,3,4,4,5,5-Hexafluoro-1-methylcyclopentene
CID 21731929

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4-pentafluoro-1-methylcyclopentene?
The IUPAC name of 2,3,3,4,4-pentafluoro-1-methylcyclopentene (CID 87084299) is 2,3,3,4,4-pentafluoro-1-methylcyclopentene.
What is the SMILES notation for 2,3,3,4,4-pentafluoro-1-methylcyclopentene?
The canonical SMILES for 2,3,3,4,4-pentafluoro-1-methylcyclopentene is CC1=C(F)C(F)(F)C(F)(F)C1.
What is the InChIKey of 2,3,3,4,4-pentafluoro-1-methylcyclopentene?
The InChIKey is XTBJJBSXRPHWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5/c1-3-2-5(8,9)6(10,11)4(3)7/h2H2,1H3.
What are the key properties of 2,3,3,4,4-pentafluoro-1-methylcyclopentene?
2,3,3,4,4-pentafluoro-1-methylcyclopentene has a molecular weight of 172.10 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4-pentafluoro-1-methylcyclopentene is sourced from PubChem (CID 87084299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).