2-chloro-1,1,2-trifluoro-3-(1,1,2,2-tetrafluorobutyl)cyclobutane

C8H8ClF7 — CID 556598

IUPAC2-chloro-1,1,2-trifluoro-3-(1,1,2,2-tetrafluorobutyl)cyclobutane
SMILESCCC(F)(F)C(F)(F)C1CC(F)(F)C1(F)Cl
InChIInChI=1S/C8H8ClF7/c1-2-5(10,11)8(15,16)4-3-6(12,13)7(4,9)14/h4H,2-3H2,1H3
InChIKeyRCRCXZOKWCKQNG-UHFFFAOYSA-N
MW272.59 g/mol
LogP4.23
Rot. Bonds3

About 2-chloro-1,1,2-trifluoro-3-(1,1,2,2-tetrafluorobutyl)cyclobutane

2-chloro-1,1,2-trifluoro-3-(1,1,2,2-tetrafluorobutyl)cyclobutane (PubChem CID 556598) has the molecular formula C8H8ClF7 and a molecular weight of 272.59 g/mol. Its IUPAC name is 2-chloro-1,1,2-trifluoro-3-(1,1,2,2-tetrafluorobutyl)cyclobutane.

Molecular Properties

Compound Name2-chloro-1,1,2-trifluoro-3-(1,1,2,2-tetrafluorobutyl)cyclobutane
PubChem CID556598
Molecular FormulaC8H8ClF7
Molecular Weight272.59 g/mol
Exact Mass272.02
IUPAC Name2-chloro-1,1,2-trifluoro-3-(1,1,2,2-tetrafluorobutyl)cyclobutane
SMILESCCC(F)(F)C(F)(F)C1CC(F)(F)C1(F)Cl
InChIInChI=1S/C8H8ClF7/c1-2-5(10,11)8(15,16)4-3-6(12,13)7(4,9)14/h4H,2-3H2,1H3
InChIKeyRCRCXZOKWCKQNG-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.59
LogP ≤ 54.23
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 2-chloro-1,1,2-trifluoro-3-(1,1,2,2-tetrafluorobutyl)cyclobutane?
The IUPAC name of 2-chloro-1,1,2-trifluoro-3-(1,1,2,2-tetrafluorobutyl)cyclobutane (CID 556598) is 2-chloro-1,1,2-trifluoro-3-(1,1,2,2-tetrafluorobutyl)cyclobutane.
What is the SMILES notation for 2-chloro-1,1,2-trifluoro-3-(1,1,2,2-tetrafluorobutyl)cyclobutane?
The canonical SMILES for 2-chloro-1,1,2-trifluoro-3-(1,1,2,2-tetrafluorobutyl)cyclobutane is CCC(F)(F)C(F)(F)C1CC(F)(F)C1(F)Cl.
What is the InChIKey of 2-chloro-1,1,2-trifluoro-3-(1,1,2,2-tetrafluorobutyl)cyclobutane?
The InChIKey is RCRCXZOKWCKQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF7/c1-2-5(10,11)8(15,16)4-3-6(12,13)7(4,9)14/h4H,2-3H2,1H3.
What are the key properties of 2-chloro-1,1,2-trifluoro-3-(1,1,2,2-tetrafluorobutyl)cyclobutane?
2-chloro-1,1,2-trifluoro-3-(1,1,2,2-tetrafluorobutyl)cyclobutane has a molecular weight of 272.59 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,2-trifluoro-3-(1,1,2,2-tetrafluorobutyl)cyclobutane is sourced from PubChem (CID 556598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).