4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-diene-1,1-diol

C9H8F6O2 — CID 175099247

IUPAC4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-diene-1,1-diol
SMILESOC1(O)C=CC(C(F)C(F)(F)C(F)(F)F)=CC1
InChIInChI=1S/C9H8F6O2/c10-6(8(11,12)9(13,14)15)5-1-3-7(16,17)4-2-5/h1-3,6,16-17H,4H2
InChIKeyXUYFBLFBAUNXLH-UHFFFAOYSA-N
MW262.15 g/mol
LogP2.09
Rot. Bonds2

About 4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-diene-1,1-diol

4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-diene-1,1-diol (PubChem CID 175099247) has the molecular formula C9H8F6O2 and a molecular weight of 262.15 g/mol. Its IUPAC name is 4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-diene-1,1-diol.

Molecular Properties

Compound Name4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-diene-1,1-diol
PubChem CID175099247
Molecular FormulaC9H8F6O2
Molecular Weight262.15 g/mol
Exact Mass262.04
IUPAC Name4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-diene-1,1-diol
SMILESOC1(O)C=CC(C(F)C(F)(F)C(F)(F)F)=CC1
InChIInChI=1S/C9H8F6O2/c10-6(8(11,12)9(13,14)15)5-1-3-7(16,17)4-2-5/h1-3,6,16-17H,4H2
InChIKeyXUYFBLFBAUNXLH-UHFFFAOYSA-N
XLogP2.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-diene-1,1-diol?
The IUPAC name of 4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-diene-1,1-diol (CID 175099247) is 4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-diene-1,1-diol.
What is the SMILES notation for 4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-diene-1,1-diol?
The canonical SMILES for 4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-diene-1,1-diol is OC1(O)C=CC(C(F)C(F)(F)C(F)(F)F)=CC1.
What is the InChIKey of 4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-diene-1,1-diol?
The InChIKey is XUYFBLFBAUNXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6O2/c10-6(8(11,12)9(13,14)15)5-1-3-7(16,17)4-2-5/h1-3,6,16-17H,4H2.
What are the key properties of 4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-diene-1,1-diol?
4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-diene-1,1-diol has a molecular weight of 262.15 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-diene-1,1-diol is sourced from PubChem (CID 175099247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).