1-chloro-1,2,2,3,3,4-hexafluoro-4-methylcyclobutane

C5H3ClF6 — CID 21279835

IUPAC1-chloro-1,2,2,3,3,4-hexafluoro-4-methylcyclobutane
SMILESCC1(F)C(F)(F)C(F)(F)C1(F)Cl
InChIInChI=1S/C5H3ClF6/c1-2(7)3(6,8)5(11,12)4(2,9)10/h1H3
InChIKeyXUPZOAHZXITDCN-UHFFFAOYSA-N
MW212.52 g/mol
LogP2.90
Rot. Bonds

About 1-chloro-1,2,2,3,3,4-hexafluoro-4-methylcyclobutane

1-chloro-1,2,2,3,3,4-hexafluoro-4-methylcyclobutane (PubChem CID 21279835) has the molecular formula C5H3ClF6 and a molecular weight of 212.52 g/mol. Its IUPAC name is 1-chloro-1,2,2,3,3,4-hexafluoro-4-methylcyclobutane.

Molecular Properties

Compound Name1-chloro-1,2,2,3,3,4-hexafluoro-4-methylcyclobutane
PubChem CID21279835
Molecular FormulaC5H3ClF6
Molecular Weight212.52 g/mol
Exact Mass211.98
IUPAC Name1-chloro-1,2,2,3,3,4-hexafluoro-4-methylcyclobutane
SMILESCC1(F)C(F)(F)C(F)(F)C1(F)Cl
InChIInChI=1S/C5H3ClF6/c1-2(7)3(6,8)5(11,12)4(2,9)10/h1H3
InChIKeyXUPZOAHZXITDCN-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.52
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,2,2,3,3,4-hexafluoro-4-methylcyclobutane?
The IUPAC name of 1-chloro-1,2,2,3,3,4-hexafluoro-4-methylcyclobutane (CID 21279835) is 1-chloro-1,2,2,3,3,4-hexafluoro-4-methylcyclobutane.
What is the SMILES notation for 1-chloro-1,2,2,3,3,4-hexafluoro-4-methylcyclobutane?
The canonical SMILES for 1-chloro-1,2,2,3,3,4-hexafluoro-4-methylcyclobutane is CC1(F)C(F)(F)C(F)(F)C1(F)Cl.
What is the InChIKey of 1-chloro-1,2,2,3,3,4-hexafluoro-4-methylcyclobutane?
The InChIKey is XUPZOAHZXITDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF6/c1-2(7)3(6,8)5(11,12)4(2,9)10/h1H3.
What are the key properties of 1-chloro-1,2,2,3,3,4-hexafluoro-4-methylcyclobutane?
1-chloro-1,2,2,3,3,4-hexafluoro-4-methylcyclobutane has a molecular weight of 212.52 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,2,2,3,3,4-hexafluoro-4-methylcyclobutane is sourced from PubChem (CID 21279835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).