3,5-dichloro-4-ethyl-2-fluorophenol

C8H7Cl2FO — CID 170078086

IUPAC3,5-dichloro-4-ethyl-2-fluorophenol
SMILESCCc1c(Cl)cc(O)c(F)c1Cl
InChIInChI=1S/C8H7Cl2FO/c1-2-4-5(9)3-6(12)8(11)7(4)10/h3,12H,2H2,1H3
InChIKeyXDFJDNWPTKHBLR-UHFFFAOYSA-N
MW209.05 g/mol
LogP3.40
Rot. Bonds1

About 3,5-dichloro-4-ethyl-2-fluorophenol

3,5-dichloro-4-ethyl-2-fluorophenol (PubChem CID 170078086) has the molecular formula C8H7Cl2FO and a molecular weight of 209.05 g/mol. Its IUPAC name is 3,5-dichloro-4-ethyl-2-fluorophenol.

Molecular Properties

Compound Name3,5-dichloro-4-ethyl-2-fluorophenol
PubChem CID170078086
Molecular FormulaC8H7Cl2FO
Molecular Weight209.05 g/mol
Exact Mass207.99
IUPAC Name3,5-dichloro-4-ethyl-2-fluorophenol
SMILESCCc1c(Cl)cc(O)c(F)c1Cl
InChIInChI=1S/C8H7Cl2FO/c1-2-4-5(9)3-6(12)8(11)7(4)10/h3,12H,2H2,1H3
InChIKeyXDFJDNWPTKHBLR-UHFFFAOYSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.05
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-ethyl-2-fluorophenol?
The IUPAC name of 3,5-dichloro-4-ethyl-2-fluorophenol (CID 170078086) is 3,5-dichloro-4-ethyl-2-fluorophenol.
What is the SMILES notation for 3,5-dichloro-4-ethyl-2-fluorophenol?
The canonical SMILES for 3,5-dichloro-4-ethyl-2-fluorophenol is CCc1c(Cl)cc(O)c(F)c1Cl.
What is the InChIKey of 3,5-dichloro-4-ethyl-2-fluorophenol?
The InChIKey is XDFJDNWPTKHBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FO/c1-2-4-5(9)3-6(12)8(11)7(4)10/h3,12H,2H2,1H3.
What are the key properties of 3,5-dichloro-4-ethyl-2-fluorophenol?
3,5-dichloro-4-ethyl-2-fluorophenol has a molecular weight of 209.05 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-ethyl-2-fluorophenol is sourced from PubChem (CID 170078086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).