1-chloro-3,3,4,4,5,5-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene

C9ClF15 — CID 15474251

IUPAC1-chloro-3,3,4,4,5,5-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene
SMILESFC(F)(F)C(C1=C(Cl)C(F)(F)C(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9ClF15/c10-2-1(4(11,12)6(15,16)5(2,13)14)3(7(17,18)19,8(20,21)22)9(23,24)25
InChIKeyAOOCRTJQEUZZDZ-UHFFFAOYSA-N
MW428.52 g/mol
LogP6.07
Rot. Bonds1

About 1-chloro-3,3,4,4,5,5-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene

1-chloro-3,3,4,4,5,5-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene (PubChem CID 15474251) has the molecular formula C9ClF15 and a molecular weight of 428.52 g/mol. Its IUPAC name is 1-chloro-3,3,4,4,5,5-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene.

Molecular Properties

Compound Name1-chloro-3,3,4,4,5,5-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene
PubChem CID15474251
Molecular FormulaC9ClF15
Molecular Weight428.52 g/mol
Exact Mass427.94
IUPAC Name1-chloro-3,3,4,4,5,5-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene
SMILESFC(F)(F)C(C1=C(Cl)C(F)(F)C(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9ClF15/c10-2-1(4(11,12)6(15,16)5(2,13)14)3(7(17,18)19,8(20,21)22)9(23,24)25
InChIKeyAOOCRTJQEUZZDZ-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.52
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloro-3,3,4,4,5,5-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]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

1,3,3,4,4,5,5-Heptafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene
CID 14007677
1-Chloro-2-t-butyl perfluorocyclopentene
CID 139243157
1-(2-Chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-difluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,4-bis(trifluoromethyl)cyclobutene
CID 12600359

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,3,4,4,5,5-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene?
The IUPAC name of 1-chloro-3,3,4,4,5,5-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene (CID 15474251) is 1-chloro-3,3,4,4,5,5-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene.
What is the SMILES notation for 1-chloro-3,3,4,4,5,5-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene?
The canonical SMILES for 1-chloro-3,3,4,4,5,5-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene is FC(F)(F)C(C1=C(Cl)C(F)(F)C(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-chloro-3,3,4,4,5,5-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene?
The InChIKey is AOOCRTJQEUZZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9ClF15/c10-2-1(4(11,12)6(15,16)5(2,13)14)3(7(17,18)19,8(20,21)22)9(23,24)25.
What are the key properties of 1-chloro-3,3,4,4,5,5-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene?
1-chloro-3,3,4,4,5,5-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene has a molecular weight of 428.52 g/mol, XLogP of 6.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,3,4,4,5,5-hexafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene is sourced from PubChem (CID 15474251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).