1,3,3,4,4-pentafluoro-5,5-bis(2,2,2-trifluoroethoxy)cyclopentene

C9H5F11O2 — CID 155670568

IUPAC1,3,3,4,4-pentafluoro-5,5-bis(2,2,2-trifluoroethoxy)cyclopentene
SMILESFC1=CC(F)(F)C(F)(F)C1(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C9H5F11O2/c10-4-1-5(11,12)9(19,20)8(4,21-2-6(13,14)15)22-3-7(16,17)18/h1H,2-3H2
InChIKeyBAXNCTYRLOHSIC-UHFFFAOYSA-N
MW354.12 g/mol
LogP3.98
Rot. Bonds4

About 1,3,3,4,4-pentafluoro-5,5-bis(2,2,2-trifluoroethoxy)cyclopentene

1,3,3,4,4-pentafluoro-5,5-bis(2,2,2-trifluoroethoxy)cyclopentene (PubChem CID 155670568) has the molecular formula C9H5F11O2 and a molecular weight of 354.12 g/mol. Its IUPAC name is 1,3,3,4,4-pentafluoro-5,5-bis(2,2,2-trifluoroethoxy)cyclopentene.

Molecular Properties

Compound Name1,3,3,4,4-pentafluoro-5,5-bis(2,2,2-trifluoroethoxy)cyclopentene
PubChem CID155670568
Molecular FormulaC9H5F11O2
Molecular Weight354.12 g/mol
Exact Mass354.01
IUPAC Name1,3,3,4,4-pentafluoro-5,5-bis(2,2,2-trifluoroethoxy)cyclopentene
SMILESFC1=CC(F)(F)C(F)(F)C1(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C9H5F11O2/c10-4-1-5(11,12)9(19,20)8(4,21-2-6(13,14)15)22-3-7(16,17)18/h1H,2-3H2
InChIKeyBAXNCTYRLOHSIC-UHFFFAOYSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.12
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,3,3,4,4-pentafluoro-5,5-bis(2,2,2-trifluoroethoxy)cyclopentene with MolForge

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

Launch Full Analysis

Related Compounds

3,3,4,4-tetrafluoro-1,5,5-tris(2,2,2-trifluoroethoxy)cyclopentene
CID 155670544
2,6-difluoro-1-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-ol
CID 140699020
3,3,4-trifluoro-4-(2,2,2-trifluoroethoxy)tricyclo[4.2.1.02,5]non-7-ene
CID 123655038
3,5-difluoro-6-hydroxy-4-iodo-N-phenyl-3,6-bis(2,2,2-trifluoroethoxy)cyclohexa-1,4-diene-1-carboxamide
CID 154361518
ethane;3-methyl-3-(2,2,2-trifluoroethoxy)azetidine
CID 178127794
3,3,4,4,5,5-hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(2,2,2-trifluoroethoxy)cyclopentene
CID 167433155
1-(bromomethyl)-3-fluoro-2-(2,2,2-trifluoroethoxy)benzene
CID 112614053
3,3,4,4,5,5-hexafluoro-1-(2-fluoropropan-2-yl)cyclopentene
CID 175402785
acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane
CID 143388365
2-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)oxirane
CID 14140927
3-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine
CID 178127838
2-(bromomethyl)-1,3-difluoro-5-(2,2,2-trifluoroethoxy)benzene
CID 118975363

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4-pentafluoro-5,5-bis(2,2,2-trifluoroethoxy)cyclopentene?
The IUPAC name of 1,3,3,4,4-pentafluoro-5,5-bis(2,2,2-trifluoroethoxy)cyclopentene (CID 155670568) is 1,3,3,4,4-pentafluoro-5,5-bis(2,2,2-trifluoroethoxy)cyclopentene.
What is the SMILES notation for 1,3,3,4,4-pentafluoro-5,5-bis(2,2,2-trifluoroethoxy)cyclopentene?
The canonical SMILES for 1,3,3,4,4-pentafluoro-5,5-bis(2,2,2-trifluoroethoxy)cyclopentene is FC1=CC(F)(F)C(F)(F)C1(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 1,3,3,4,4-pentafluoro-5,5-bis(2,2,2-trifluoroethoxy)cyclopentene?
The InChIKey is BAXNCTYRLOHSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F11O2/c10-4-1-5(11,12)9(19,20)8(4,21-2-6(13,14)15)22-3-7(16,17)18/h1H,2-3H2.
What are the key properties of 1,3,3,4,4-pentafluoro-5,5-bis(2,2,2-trifluoroethoxy)cyclopentene?
1,3,3,4,4-pentafluoro-5,5-bis(2,2,2-trifluoroethoxy)cyclopentene has a molecular weight of 354.12 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4-pentafluoro-5,5-bis(2,2,2-trifluoroethoxy)cyclopentene is sourced from PubChem (CID 155670568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).