1-(1,1,2,2-tetrafluoroethyl)cyclopropene

C5H4F4 — CID 87084224

IUPAC1-(1,1,2,2-tetrafluoroethyl)cyclopropene
SMILESFC(F)C(F)(F)C1=CC1
InChIInChI=1S/C5H4F4/c6-4(7)5(8,9)3-1-2-3/h1,4H,2H2
InChIKeyQGRXGEVQCSKSIG-UHFFFAOYSA-N
MW140.08 g/mol
LogP2.22
Rot. Bonds2

About 1-(1,1,2,2-tetrafluoroethyl)cyclopropene

1-(1,1,2,2-tetrafluoroethyl)cyclopropene (PubChem CID 87084224) has the molecular formula C5H4F4 and a molecular weight of 140.08 g/mol. Its IUPAC name is 1-(1,1,2,2-tetrafluoroethyl)cyclopropene.

Molecular Properties

Compound Name1-(1,1,2,2-tetrafluoroethyl)cyclopropene
PubChem CID87084224
Molecular FormulaC5H4F4
Molecular Weight140.08 g/mol
Exact Mass140.02
IUPAC Name1-(1,1,2,2-tetrafluoroethyl)cyclopropene
SMILESFC(F)C(F)(F)C1=CC1
InChIInChI=1S/C5H4F4/c6-4(7)5(8,9)3-1-2-3/h1,4H,2H2
InChIKeyQGRXGEVQCSKSIG-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.08
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2-tetrafluoroethyl)cyclopropene?
The IUPAC name of 1-(1,1,2,2-tetrafluoroethyl)cyclopropene (CID 87084224) is 1-(1,1,2,2-tetrafluoroethyl)cyclopropene.
What is the SMILES notation for 1-(1,1,2,2-tetrafluoroethyl)cyclopropene?
The canonical SMILES for 1-(1,1,2,2-tetrafluoroethyl)cyclopropene is FC(F)C(F)(F)C1=CC1.
What is the InChIKey of 1-(1,1,2,2-tetrafluoroethyl)cyclopropene?
The InChIKey is QGRXGEVQCSKSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4/c6-4(7)5(8,9)3-1-2-3/h1,4H,2H2.
What are the key properties of 1-(1,1,2,2-tetrafluoroethyl)cyclopropene?
1-(1,1,2,2-tetrafluoroethyl)cyclopropene has a molecular weight of 140.08 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2-tetrafluoroethyl)cyclopropene is sourced from PubChem (CID 87084224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).