4,4-difluoro-3,5-dimethoxy-3,5-bis(trifluoromethyl)cyclopentene

C9H8F8O2 — CID 21062448

IUPAC4,4-difluoro-3,5-dimethoxy-3,5-bis(trifluoromethyl)cyclopentene
SMILESCOC1(C(F)(F)F)C=CC(OC)(C(F)(F)F)C1(F)F
InChIInChI=1S/C9H8F8O2/c1-18-5(8(12,13)14)3-4-6(19-2,7(5,10)11)9(15,16)17/h3-4H,1-2H3
InChIKeyZTAXUJSWYVXMKN-UHFFFAOYSA-N
MW300.15 g/mol
LogP3.09
Rot. Bonds2

About 4,4-difluoro-3,5-dimethoxy-3,5-bis(trifluoromethyl)cyclopentene

4,4-difluoro-3,5-dimethoxy-3,5-bis(trifluoromethyl)cyclopentene (PubChem CID 21062448) has the molecular formula C9H8F8O2 and a molecular weight of 300.15 g/mol. Its IUPAC name is 4,4-difluoro-3,5-dimethoxy-3,5-bis(trifluoromethyl)cyclopentene.

Molecular Properties

Compound Name4,4-difluoro-3,5-dimethoxy-3,5-bis(trifluoromethyl)cyclopentene
PubChem CID21062448
Molecular FormulaC9H8F8O2
Molecular Weight300.15 g/mol
Exact Mass300.04
IUPAC Name4,4-difluoro-3,5-dimethoxy-3,5-bis(trifluoromethyl)cyclopentene
SMILESCOC1(C(F)(F)F)C=CC(OC)(C(F)(F)F)C1(F)F
InChIInChI=1S/C9H8F8O2/c1-18-5(8(12,13)14)3-4-6(19-2,7(5,10)11)9(15,16)17/h3-4H,1-2H3
InChIKeyZTAXUJSWYVXMKN-UHFFFAOYSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3,5-dimethoxy-3,5-bis(trifluoromethyl)cyclopentene?
The IUPAC name of 4,4-difluoro-3,5-dimethoxy-3,5-bis(trifluoromethyl)cyclopentene (CID 21062448) is 4,4-difluoro-3,5-dimethoxy-3,5-bis(trifluoromethyl)cyclopentene.
What is the SMILES notation for 4,4-difluoro-3,5-dimethoxy-3,5-bis(trifluoromethyl)cyclopentene?
The canonical SMILES for 4,4-difluoro-3,5-dimethoxy-3,5-bis(trifluoromethyl)cyclopentene is COC1(C(F)(F)F)C=CC(OC)(C(F)(F)F)C1(F)F.
What is the InChIKey of 4,4-difluoro-3,5-dimethoxy-3,5-bis(trifluoromethyl)cyclopentene?
The InChIKey is ZTAXUJSWYVXMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F8O2/c1-18-5(8(12,13)14)3-4-6(19-2,7(5,10)11)9(15,16)17/h3-4H,1-2H3.
What are the key properties of 4,4-difluoro-3,5-dimethoxy-3,5-bis(trifluoromethyl)cyclopentene?
4,4-difluoro-3,5-dimethoxy-3,5-bis(trifluoromethyl)cyclopentene has a molecular weight of 300.15 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3,5-dimethoxy-3,5-bis(trifluoromethyl)cyclopentene is sourced from PubChem (CID 21062448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).