5-chloro-1-fluorocyclohexa-3,5-diene-1,3-diol

C6H6ClFO2 — CID 150841056

IUPAC5-chloro-1-fluorocyclohexa-3,5-diene-1,3-diol
SMILESOC1=CC(Cl)=CC(O)(F)C1
InChIInChI=1S/C6H6ClFO2/c7-4-1-5(9)3-6(8,10)2-4/h1-2,9-10H,3H2
InChIKeyKNZNVOQNTGVJGA-UHFFFAOYSA-N
MW164.56 g/mol
LogP1.61
Rot. Bonds

About 5-chloro-1-fluorocyclohexa-3,5-diene-1,3-diol

5-chloro-1-fluorocyclohexa-3,5-diene-1,3-diol (PubChem CID 150841056) has the molecular formula C6H6ClFO2 and a molecular weight of 164.56 g/mol. Its IUPAC name is 5-chloro-1-fluorocyclohexa-3,5-diene-1,3-diol.

Molecular Properties

Compound Name5-chloro-1-fluorocyclohexa-3,5-diene-1,3-diol
PubChem CID150841056
Molecular FormulaC6H6ClFO2
Molecular Weight164.56 g/mol
Exact Mass164.00
IUPAC Name5-chloro-1-fluorocyclohexa-3,5-diene-1,3-diol
SMILESOC1=CC(Cl)=CC(O)(F)C1
InChIInChI=1S/C6H6ClFO2/c7-4-1-5(9)3-6(8,10)2-4/h1-2,9-10H,3H2
InChIKeyKNZNVOQNTGVJGA-UHFFFAOYSA-N
XLogP1.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.56
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chlorohydroquinone
CID 67943553
2-Chloro-4-fluorocyclohexa-1,3-dien-1-ol
CID 17938694
4-Chloro-1-fluorophenol
CID 22482861
2,3,4,6-Tetrafluroresorcinol
CID 22672482
1-Fluorocyclohexa-3,5-diene-1,3-diol
CID 22996723
4-Chloro-6-fluorocyclohexa-1,5-diene-1,4-diol
CID 70199417
1,2,5,6-Tetrafluorocyclohexa-3,5-diene-1,3-diol
CID 88335801
1-Chloro-3-fluorocyclohexa-2,4-dien-1-ol
CID 149975152
1,2,5-Trifluorocyclohexa-3,5-diene-1,3-diol
CID 151055237
1,2-Difluorocyclohexa-3,5-diene-1,3-diol
CID 151186935
1,2,4,5-Tetrafluorocyclohexa-3,5-diene-1,3-diol
CID 153967861
4-Fluorocyclohexa-1,5-diene-1,4-diol
CID 153971762

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-fluorocyclohexa-3,5-diene-1,3-diol?
The IUPAC name of 5-chloro-1-fluorocyclohexa-3,5-diene-1,3-diol (CID 150841056) is 5-chloro-1-fluorocyclohexa-3,5-diene-1,3-diol.
What is the SMILES notation for 5-chloro-1-fluorocyclohexa-3,5-diene-1,3-diol?
The canonical SMILES for 5-chloro-1-fluorocyclohexa-3,5-diene-1,3-diol is OC1=CC(Cl)=CC(O)(F)C1.
What is the InChIKey of 5-chloro-1-fluorocyclohexa-3,5-diene-1,3-diol?
The InChIKey is KNZNVOQNTGVJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFO2/c7-4-1-5(9)3-6(8,10)2-4/h1-2,9-10H,3H2.
What are the key properties of 5-chloro-1-fluorocyclohexa-3,5-diene-1,3-diol?
5-chloro-1-fluorocyclohexa-3,5-diene-1,3-diol has a molecular weight of 164.56 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-fluorocyclohexa-3,5-diene-1,3-diol is sourced from PubChem (CID 150841056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).