5-chloro-6-fluorocyclohexa-1,5-dien-1-ol

C6H6ClFO — CID 173430748

IUPAC5-chloro-6-fluorocyclohexa-1,5-dien-1-ol
SMILESOC1=CCCC(Cl)=C1F
InChIInChI=1S/C6H6ClFO/c7-4-2-1-3-5(9)6(4)8/h3,9H,1-2H2
InChIKeyOZGIGCPGSHFZMN-UHFFFAOYSA-N
MW148.56 g/mol
LogP2.64
Rot. Bonds

About 5-chloro-6-fluorocyclohexa-1,5-dien-1-ol

5-chloro-6-fluorocyclohexa-1,5-dien-1-ol (PubChem CID 173430748) has the molecular formula C6H6ClFO and a molecular weight of 148.56 g/mol. Its IUPAC name is 5-chloro-6-fluorocyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name5-chloro-6-fluorocyclohexa-1,5-dien-1-ol
PubChem CID173430748
Molecular FormulaC6H6ClFO
Molecular Weight148.56 g/mol
Exact Mass148.01
IUPAC Name5-chloro-6-fluorocyclohexa-1,5-dien-1-ol
SMILESOC1=CCCC(Cl)=C1F
InChIInChI=1S/C6H6ClFO/c7-4-2-1-3-5(9)6(4)8/h3,9H,1-2H2
InChIKeyOZGIGCPGSHFZMN-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluorocyclohexa-1,5-dien-1-ol?
The IUPAC name of 5-chloro-6-fluorocyclohexa-1,5-dien-1-ol (CID 173430748) is 5-chloro-6-fluorocyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 5-chloro-6-fluorocyclohexa-1,5-dien-1-ol?
The canonical SMILES for 5-chloro-6-fluorocyclohexa-1,5-dien-1-ol is OC1=CCCC(Cl)=C1F.
What is the InChIKey of 5-chloro-6-fluorocyclohexa-1,5-dien-1-ol?
The InChIKey is OZGIGCPGSHFZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFO/c7-4-2-1-3-5(9)6(4)8/h3,9H,1-2H2.
What are the key properties of 5-chloro-6-fluorocyclohexa-1,5-dien-1-ol?
5-chloro-6-fluorocyclohexa-1,5-dien-1-ol has a molecular weight of 148.56 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluorocyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 173430748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).