4-chloro-1-fluorocyclohexa-2,4-dien-1-ol

C6H6ClFO — CID 22482861

IUPAC4-chloro-1-fluorocyclohexa-2,4-dien-1-ol
SMILESOC1(F)C=CC(Cl)=CC1
InChIInChI=1S/C6H6ClFO/c7-5-1-3-6(8,9)4-2-5/h1-3,9H,4H2
InChIKeyYSHYFXQIAJFBMV-UHFFFAOYSA-N
MW148.56 g/mol
LogP1.73
Rot. Bonds

About 4-chloro-1-fluorocyclohexa-2,4-dien-1-ol

4-chloro-1-fluorocyclohexa-2,4-dien-1-ol (PubChem CID 22482861) has the molecular formula C6H6ClFO and a molecular weight of 148.56 g/mol. Its IUPAC name is 4-chloro-1-fluorocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-chloro-1-fluorocyclohexa-2,4-dien-1-ol
PubChem CID22482861
Molecular FormulaC6H6ClFO
Molecular Weight148.56 g/mol
Exact Mass148.01
IUPAC Name4-chloro-1-fluorocyclohexa-2,4-dien-1-ol
SMILESOC1(F)C=CC(Cl)=CC1
InChIInChI=1S/C6H6ClFO/c7-5-1-3-6(8,9)4-2-5/h1-3,9H,4H2
InChIKeyYSHYFXQIAJFBMV-UHFFFAOYSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.56
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-fluorocyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-chloro-1-fluorocyclohexa-2,4-dien-1-ol (CID 22482861) is 4-chloro-1-fluorocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-chloro-1-fluorocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-chloro-1-fluorocyclohexa-2,4-dien-1-ol is OC1(F)C=CC(Cl)=CC1.
What is the InChIKey of 4-chloro-1-fluorocyclohexa-2,4-dien-1-ol?
The InChIKey is YSHYFXQIAJFBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFO/c7-5-1-3-6(8,9)4-2-5/h1-3,9H,4H2.
What are the key properties of 4-chloro-1-fluorocyclohexa-2,4-dien-1-ol?
4-chloro-1-fluorocyclohexa-2,4-dien-1-ol has a molecular weight of 148.56 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-fluorocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 22482861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).