1,1,2,2-tetrafluoro-3-methylcyclopropane

C4H4F4 — CID 18520927

IUPAC1,1,2,2-tetrafluoro-3-methylcyclopropane
SMILESCC1C(F)(F)C1(F)F
InChIInChI=1S/C4H4F4/c1-2-3(5,6)4(2,7)8/h2H,1H3
InChIKeyJXGWCSFEMRDGQV-UHFFFAOYSA-N
MW128.07 g/mol
LogP1.91
Rot. Bonds

About 1,1,2,2-tetrafluoro-3-methylcyclopropane

1,1,2,2-tetrafluoro-3-methylcyclopropane (PubChem CID 18520927) has the molecular formula C4H4F4 and a molecular weight of 128.07 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-3-methylcyclopropane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-3-methylcyclopropane
PubChem CID18520927
Molecular FormulaC4H4F4
Molecular Weight128.07 g/mol
Exact Mass128.02
IUPAC Name1,1,2,2-tetrafluoro-3-methylcyclopropane
SMILESCC1C(F)(F)C1(F)F
InChIInChI=1S/C4H4F4/c1-2-3(5,6)4(2,7)8/h2H,1H3
InChIKeyJXGWCSFEMRDGQV-UHFFFAOYSA-N
XLogP1.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.07
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-3-methylcyclopropane?
The IUPAC name of 1,1,2,2-tetrafluoro-3-methylcyclopropane (CID 18520927) is 1,1,2,2-tetrafluoro-3-methylcyclopropane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-3-methylcyclopropane?
The canonical SMILES for 1,1,2,2-tetrafluoro-3-methylcyclopropane is CC1C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-3-methylcyclopropane?
The InChIKey is JXGWCSFEMRDGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4/c1-2-3(5,6)4(2,7)8/h2H,1H3.
What are the key properties of 1,1,2,2-tetrafluoro-3-methylcyclopropane?
1,1,2,2-tetrafluoro-3-methylcyclopropane has a molecular weight of 128.07 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-3-methylcyclopropane is sourced from PubChem (CID 18520927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).