1,2,5-trifluorocyclohexa-3,5-diene-1,3-diol

C6H5F3O2 — CID 151055237

IUPAC1,2,5-trifluorocyclohexa-3,5-diene-1,3-diol
SMILESOC1=CC(F)=CC(O)(F)C1F
InChIInChI=1S/C6H5F3O2/c7-3-1-4(10)5(8)6(9,11)2-3/h1-2,5,10-11H
InChIKeyMEYYQJYPCDXAAW-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.29
Rot. Bonds

About 1,2,5-trifluorocyclohexa-3,5-diene-1,3-diol

1,2,5-trifluorocyclohexa-3,5-diene-1,3-diol (PubChem CID 151055237) has the molecular formula C6H5F3O2 and a molecular weight of 166.10 g/mol. Its IUPAC name is 1,2,5-trifluorocyclohexa-3,5-diene-1,3-diol.

Molecular Properties

Compound Name1,2,5-trifluorocyclohexa-3,5-diene-1,3-diol
PubChem CID151055237
Molecular FormulaC6H5F3O2
Molecular Weight166.10 g/mol
Exact Mass166.02
IUPAC Name1,2,5-trifluorocyclohexa-3,5-diene-1,3-diol
SMILESOC1=CC(F)=CC(O)(F)C1F
InChIInChI=1S/C6H5F3O2/c7-3-1-4(10)5(8)6(9,11)2-3/h1-2,5,10-11H
InChIKeyMEYYQJYPCDXAAW-UHFFFAOYSA-N
XLogP1.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trifluorocyclohexa-3,5-diene-1,3-diol?
The IUPAC name of 1,2,5-trifluorocyclohexa-3,5-diene-1,3-diol (CID 151055237) is 1,2,5-trifluorocyclohexa-3,5-diene-1,3-diol.
What is the SMILES notation for 1,2,5-trifluorocyclohexa-3,5-diene-1,3-diol?
The canonical SMILES for 1,2,5-trifluorocyclohexa-3,5-diene-1,3-diol is OC1=CC(F)=CC(O)(F)C1F.
What is the InChIKey of 1,2,5-trifluorocyclohexa-3,5-diene-1,3-diol?
The InChIKey is MEYYQJYPCDXAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3O2/c7-3-1-4(10)5(8)6(9,11)2-3/h1-2,5,10-11H.
What are the key properties of 1,2,5-trifluorocyclohexa-3,5-diene-1,3-diol?
1,2,5-trifluorocyclohexa-3,5-diene-1,3-diol has a molecular weight of 166.10 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trifluorocyclohexa-3,5-diene-1,3-diol is sourced from PubChem (CID 151055237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).