5-chloro-1,3,4,5-tetrafluoro-4-(1,2,2-trifluoroethoxy)cyclopentene

C7H4ClF7O — CID 175385234

IUPAC5-chloro-1,3,4,5-tetrafluoro-4-(1,2,2-trifluoroethoxy)cyclopentene
SMILESFC1=CC(F)C(F)(OC(F)C(F)F)C1(F)Cl
InChIInChI=1S/C7H4ClF7O/c8-6(14)2(9)1-3(10)7(6,15)16-5(13)4(11)12/h1,3-5H
InChIKeyVCWLNUFZBUTDFB-UHFFFAOYSA-N
MW272.55 g/mol
LogP3.34
Rot. Bonds3

About 5-chloro-1,3,4,5-tetrafluoro-4-(1,2,2-trifluoroethoxy)cyclopentene

5-chloro-1,3,4,5-tetrafluoro-4-(1,2,2-trifluoroethoxy)cyclopentene (PubChem CID 175385234) has the molecular formula C7H4ClF7O and a molecular weight of 272.55 g/mol. Its IUPAC name is 5-chloro-1,3,4,5-tetrafluoro-4-(1,2,2-trifluoroethoxy)cyclopentene.

Molecular Properties

Compound Name5-chloro-1,3,4,5-tetrafluoro-4-(1,2,2-trifluoroethoxy)cyclopentene
PubChem CID175385234
Molecular FormulaC7H4ClF7O
Molecular Weight272.55 g/mol
Exact Mass271.98
IUPAC Name5-chloro-1,3,4,5-tetrafluoro-4-(1,2,2-trifluoroethoxy)cyclopentene
SMILESFC1=CC(F)C(F)(OC(F)C(F)F)C1(F)Cl
InChIInChI=1S/C7H4ClF7O/c8-6(14)2(9)1-3(10)7(6,15)16-5(13)4(11)12/h1,3-5H
InChIKeyVCWLNUFZBUTDFB-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.55
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3,4,5-tetrafluoro-4-(1,2,2-trifluoroethoxy)cyclopentene?
The IUPAC name of 5-chloro-1,3,4,5-tetrafluoro-4-(1,2,2-trifluoroethoxy)cyclopentene (CID 175385234) is 5-chloro-1,3,4,5-tetrafluoro-4-(1,2,2-trifluoroethoxy)cyclopentene.
What is the SMILES notation for 5-chloro-1,3,4,5-tetrafluoro-4-(1,2,2-trifluoroethoxy)cyclopentene?
The canonical SMILES for 5-chloro-1,3,4,5-tetrafluoro-4-(1,2,2-trifluoroethoxy)cyclopentene is FC1=CC(F)C(F)(OC(F)C(F)F)C1(F)Cl.
What is the InChIKey of 5-chloro-1,3,4,5-tetrafluoro-4-(1,2,2-trifluoroethoxy)cyclopentene?
The InChIKey is VCWLNUFZBUTDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF7O/c8-6(14)2(9)1-3(10)7(6,15)16-5(13)4(11)12/h1,3-5H.
What are the key properties of 5-chloro-1,3,4,5-tetrafluoro-4-(1,2,2-trifluoroethoxy)cyclopentene?
5-chloro-1,3,4,5-tetrafluoro-4-(1,2,2-trifluoroethoxy)cyclopentene has a molecular weight of 272.55 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3,4,5-tetrafluoro-4-(1,2,2-trifluoroethoxy)cyclopentene is sourced from PubChem (CID 175385234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).