1-chloro-2,3,3,4,4,5,6,6-octafluorocyclohexene

C6HClF8 — CID 139243159

IUPAC1-chloro-2,3,3,4,4,5,6,6-octafluorocyclohexene
SMILESFC1=C(Cl)C(F)(F)C(F)C(F)(F)C1(F)F
InChIInChI=1S/C6HClF8/c7-1-2(8)5(12,13)6(14,15)3(9)4(1,10)11/h3H
InChIKeyOWHUGLPDTRUSAO-UHFFFAOYSA-N
MW260.51 g/mol
LogP3.66
Rot. Bonds

About 1-chloro-2,3,3,4,4,5,6,6-octafluorocyclohexene

1-chloro-2,3,3,4,4,5,6,6-octafluorocyclohexene (PubChem CID 139243159) has the molecular formula C6HClF8 and a molecular weight of 260.51 g/mol. Its IUPAC name is 1-chloro-2,3,3,4,4,5,6,6-octafluorocyclohexene.

Molecular Properties

Compound Name1-chloro-2,3,3,4,4,5,6,6-octafluorocyclohexene
PubChem CID139243159
Molecular FormulaC6HClF8
Molecular Weight260.51 g/mol
Exact Mass259.96
IUPAC Name1-chloro-2,3,3,4,4,5,6,6-octafluorocyclohexene
SMILESFC1=C(Cl)C(F)(F)C(F)C(F)(F)C1(F)F
InChIInChI=1S/C6HClF8/c7-1-2(8)5(12,13)6(14,15)3(9)4(1,10)11/h3H
InChIKeyOWHUGLPDTRUSAO-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.51
LogP ≤ 53.66
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-chloro-2,3,3,4,4,5,6,6-octafluorocyclohexene?
The IUPAC name of 1-chloro-2,3,3,4,4,5,6,6-octafluorocyclohexene (CID 139243159) is 1-chloro-2,3,3,4,4,5,6,6-octafluorocyclohexene.
What is the SMILES notation for 1-chloro-2,3,3,4,4,5,6,6-octafluorocyclohexene?
The canonical SMILES for 1-chloro-2,3,3,4,4,5,6,6-octafluorocyclohexene is FC1=C(Cl)C(F)(F)C(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-chloro-2,3,3,4,4,5,6,6-octafluorocyclohexene?
The InChIKey is OWHUGLPDTRUSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HClF8/c7-1-2(8)5(12,13)6(14,15)3(9)4(1,10)11/h3H.
What are the key properties of 1-chloro-2,3,3,4,4,5,6,6-octafluorocyclohexene?
1-chloro-2,3,3,4,4,5,6,6-octafluorocyclohexene has a molecular weight of 260.51 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3,3,4,4,5,6,6-octafluorocyclohexene is sourced from PubChem (CID 139243159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).