1',1'-dichloro-2',2',3',3'-tetrafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,4'-cyclobutane]

C11H8Cl2F4O — CID 58679546

IUPAC1',1'-dichloro-2',2',3',3'-tetrafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,4'-cyclobutane]
SMILESFC1(F)C(F)(F)C2(OC3C4C=CC(C4)C32)C1(Cl)Cl
InChIInChI=1S/C11H8Cl2F4O/c12-9(13)8(10(14,15)11(9,16)17)6-4-1-2-5(3-4)7(6)18-8/h1-2,4-7H,3H2
InChIKeyURGRLFKLLSQQRE-UHFFFAOYSA-N
MW303.08 g/mol
LogP3.40
Rot. Bonds

About 1',1'-dichloro-2',2',3',3'-tetrafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,4'-cyclobutane]

1',1'-dichloro-2',2',3',3'-tetrafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,4'-cyclobutane] (PubChem CID 58679546) has the molecular formula C11H8Cl2F4O and a molecular weight of 303.08 g/mol. Its IUPAC name is 1',1'-dichloro-2',2',3',3'-tetrafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,4'-cyclobutane].

Molecular Properties

Compound Name1',1'-dichloro-2',2',3',3'-tetrafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,4'-cyclobutane]
PubChem CID58679546
Molecular FormulaC11H8Cl2F4O
Molecular Weight303.08 g/mol
Exact Mass301.99
IUPAC Name1',1'-dichloro-2',2',3',3'-tetrafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,4'-cyclobutane]
SMILESFC1(F)C(F)(F)C2(OC3C4C=CC(C4)C32)C1(Cl)Cl
InChIInChI=1S/C11H8Cl2F4O/c12-9(13)8(10(14,15)11(9,16)17)6-4-1-2-5(3-4)7(6)18-8/h1-2,4-7H,3H2
InChIKeyURGRLFKLLSQQRE-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.08
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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'-dichloro-2',2',3',3'-tetrafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,4'-cyclobutane]?
The IUPAC name of 1',1'-dichloro-2',2',3',3'-tetrafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,4'-cyclobutane] (CID 58679546) is 1',1'-dichloro-2',2',3',3'-tetrafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,4'-cyclobutane].
What is the SMILES notation for 1',1'-dichloro-2',2',3',3'-tetrafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,4'-cyclobutane]?
The canonical SMILES for 1',1'-dichloro-2',2',3',3'-tetrafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,4'-cyclobutane] is FC1(F)C(F)(F)C2(OC3C4C=CC(C4)C32)C1(Cl)Cl.
What is the InChIKey of 1',1'-dichloro-2',2',3',3'-tetrafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,4'-cyclobutane]?
The InChIKey is URGRLFKLLSQQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F4O/c12-9(13)8(10(14,15)11(9,16)17)6-4-1-2-5(3-4)7(6)18-8/h1-2,4-7H,3H2.
What are the key properties of 1',1'-dichloro-2',2',3',3'-tetrafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,4'-cyclobutane]?
1',1'-dichloro-2',2',3',3'-tetrafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,4'-cyclobutane] has a molecular weight of 303.08 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1',1'-dichloro-2',2',3',3'-tetrafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,4'-cyclobutane] is sourced from PubChem (CID 58679546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).