5-chloro-3,5-difluorocyclohexa-1,3-dien-1-ol

C6H5ClF2O — CID 175568694

IUPAC5-chloro-3,5-difluorocyclohexa-1,3-dien-1-ol
SMILESOC1=CC(F)=CC(F)(Cl)C1
InChIInChI=1S/C6H5ClF2O/c7-6(9)2-4(8)1-5(10)3-6/h1-2,10H,3H2
InChIKeyDBROBIDZJQSRAT-UHFFFAOYSA-N
MW166.55 g/mol
LogP2.59
Rot. Bonds

About 5-chloro-3,5-difluorocyclohexa-1,3-dien-1-ol

5-chloro-3,5-difluorocyclohexa-1,3-dien-1-ol (PubChem CID 175568694) has the molecular formula C6H5ClF2O and a molecular weight of 166.55 g/mol. Its IUPAC name is 5-chloro-3,5-difluorocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5-chloro-3,5-difluorocyclohexa-1,3-dien-1-ol
PubChem CID175568694
Molecular FormulaC6H5ClF2O
Molecular Weight166.55 g/mol
Exact Mass166.00
IUPAC Name5-chloro-3,5-difluorocyclohexa-1,3-dien-1-ol
SMILESOC1=CC(F)=CC(F)(Cl)C1
InChIInChI=1S/C6H5ClF2O/c7-6(9)2-4(8)1-5(10)3-6/h1-2,10H,3H2
InChIKeyDBROBIDZJQSRAT-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.55
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,5-difluorocyclohexa-1,3-dien-1-ol?
The IUPAC name of 5-chloro-3,5-difluorocyclohexa-1,3-dien-1-ol (CID 175568694) is 5-chloro-3,5-difluorocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5-chloro-3,5-difluorocyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5-chloro-3,5-difluorocyclohexa-1,3-dien-1-ol is OC1=CC(F)=CC(F)(Cl)C1.
What is the InChIKey of 5-chloro-3,5-difluorocyclohexa-1,3-dien-1-ol?
The InChIKey is DBROBIDZJQSRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2O/c7-6(9)2-4(8)1-5(10)3-6/h1-2,10H,3H2.
What are the key properties of 5-chloro-3,5-difluorocyclohexa-1,3-dien-1-ol?
5-chloro-3,5-difluorocyclohexa-1,3-dien-1-ol has a molecular weight of 166.55 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,5-difluorocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 175568694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).