5-chloro-1,3,3,4,4,6,6-heptafluoro-2-(trifluoromethyl)cyclohexene

C7HClF10 — CID 13115955

IUPAC5-chloro-1,3,3,4,4,6,6-heptafluoro-2-(trifluoromethyl)cyclohexene
SMILESFC1=C(C(F)(F)F)C(F)(F)C(F)(F)C(Cl)C1(F)F
InChIInChI=1S/C7HClF10/c8-3-4(10,11)2(9)1(7(16,17)18)5(12,13)6(3,14)15/h3H
InChIKeyXLNWOBWCVGPRFG-UHFFFAOYSA-N
MW310.52 g/mol
LogP4.30
Rot. Bonds

About 5-chloro-1,3,3,4,4,6,6-heptafluoro-2-(trifluoromethyl)cyclohexene

5-chloro-1,3,3,4,4,6,6-heptafluoro-2-(trifluoromethyl)cyclohexene (PubChem CID 13115955) has the molecular formula C7HClF10 and a molecular weight of 310.52 g/mol. Its IUPAC name is 5-chloro-1,3,3,4,4,6,6-heptafluoro-2-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name5-chloro-1,3,3,4,4,6,6-heptafluoro-2-(trifluoromethyl)cyclohexene
PubChem CID13115955
Molecular FormulaC7HClF10
Molecular Weight310.52 g/mol
Exact Mass309.96
IUPAC Name5-chloro-1,3,3,4,4,6,6-heptafluoro-2-(trifluoromethyl)cyclohexene
SMILESFC1=C(C(F)(F)F)C(F)(F)C(F)(F)C(Cl)C1(F)F
InChIInChI=1S/C7HClF10/c8-3-4(10,11)2(9)1(7(16,17)18)5(12,13)6(3,14)15/h3H
InChIKeyXLNWOBWCVGPRFG-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.52
LogP ≤ 54.30
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 5-chloro-1,3,3,4,4,6,6-heptafluoro-2-(trifluoromethyl)cyclohexene?
The IUPAC name of 5-chloro-1,3,3,4,4,6,6-heptafluoro-2-(trifluoromethyl)cyclohexene (CID 13115955) is 5-chloro-1,3,3,4,4,6,6-heptafluoro-2-(trifluoromethyl)cyclohexene.
What is the SMILES notation for 5-chloro-1,3,3,4,4,6,6-heptafluoro-2-(trifluoromethyl)cyclohexene?
The canonical SMILES for 5-chloro-1,3,3,4,4,6,6-heptafluoro-2-(trifluoromethyl)cyclohexene is FC1=C(C(F)(F)F)C(F)(F)C(F)(F)C(Cl)C1(F)F.
What is the InChIKey of 5-chloro-1,3,3,4,4,6,6-heptafluoro-2-(trifluoromethyl)cyclohexene?
The InChIKey is XLNWOBWCVGPRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HClF10/c8-3-4(10,11)2(9)1(7(16,17)18)5(12,13)6(3,14)15/h3H.
What are the key properties of 5-chloro-1,3,3,4,4,6,6-heptafluoro-2-(trifluoromethyl)cyclohexene?
5-chloro-1,3,3,4,4,6,6-heptafluoro-2-(trifluoromethyl)cyclohexene has a molecular weight of 310.52 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3,3,4,4,6,6-heptafluoro-2-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 13115955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).