3,3-difluoro-1,2-bis(trifluoromethyl)cyclopentene

C7H4F8 — CID 18520921

IUPAC3,3-difluoro-1,2-bis(trifluoromethyl)cyclopentene
SMILESFC(F)(F)C1=C(C(F)(F)F)C(F)(F)CC1
InChIInChI=1S/C7H4F8/c8-5(9)2-1-3(6(10,11)12)4(5)7(13,14)15/h1-2H2
InChIKeyUVNXHTDZZSBLJF-UHFFFAOYSA-N
MW240.09 g/mol
LogP3.84
Rot. Bonds

About 3,3-difluoro-1,2-bis(trifluoromethyl)cyclopentene

3,3-difluoro-1,2-bis(trifluoromethyl)cyclopentene (PubChem CID 18520921) has the molecular formula C7H4F8 and a molecular weight of 240.09 g/mol. Its IUPAC name is 3,3-difluoro-1,2-bis(trifluoromethyl)cyclopentene.

Molecular Properties

Compound Name3,3-difluoro-1,2-bis(trifluoromethyl)cyclopentene
PubChem CID18520921
Molecular FormulaC7H4F8
Molecular Weight240.09 g/mol
Exact Mass240.02
IUPAC Name3,3-difluoro-1,2-bis(trifluoromethyl)cyclopentene
SMILESFC(F)(F)C1=C(C(F)(F)F)C(F)(F)CC1
InChIInChI=1S/C7H4F8/c8-5(9)2-1-3(6(10,11)12)4(5)7(13,14)15/h1-2H2
InChIKeyUVNXHTDZZSBLJF-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 3,3-difluoro-1,2-bis(trifluoromethyl)cyclopentene?
The IUPAC name of 3,3-difluoro-1,2-bis(trifluoromethyl)cyclopentene (CID 18520921) is 3,3-difluoro-1,2-bis(trifluoromethyl)cyclopentene.
What is the SMILES notation for 3,3-difluoro-1,2-bis(trifluoromethyl)cyclopentene?
The canonical SMILES for 3,3-difluoro-1,2-bis(trifluoromethyl)cyclopentene is FC(F)(F)C1=C(C(F)(F)F)C(F)(F)CC1.
What is the InChIKey of 3,3-difluoro-1,2-bis(trifluoromethyl)cyclopentene?
The InChIKey is UVNXHTDZZSBLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F8/c8-5(9)2-1-3(6(10,11)12)4(5)7(13,14)15/h1-2H2.
What are the key properties of 3,3-difluoro-1,2-bis(trifluoromethyl)cyclopentene?
3,3-difluoro-1,2-bis(trifluoromethyl)cyclopentene has a molecular weight of 240.09 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1,2-bis(trifluoromethyl)cyclopentene is sourced from PubChem (CID 18520921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).