3-ethyl-4,5-difluorophenol

C8H8F2O — CID 147335111

IUPAC3-ethyl-4,5-difluorophenol
SMILESCCc1cc(O)cc(F)c1F
InChIInChI=1S/C8H8F2O/c1-2-5-3-6(11)4-7(9)8(5)10/h3-4,11H,2H2,1H3
InChIKeyDCKJKWBIAKNFRH-UHFFFAOYSA-N
MW158.15 g/mol
LogP2.23
Rot. Bonds1

About 3-ethyl-4,5-difluorophenol

3-ethyl-4,5-difluorophenol (PubChem CID 147335111) has the molecular formula C8H8F2O and a molecular weight of 158.15 g/mol. Its IUPAC name is 3-ethyl-4,5-difluorophenol.

Molecular Properties

Compound Name3-ethyl-4,5-difluorophenol
PubChem CID147335111
Molecular FormulaC8H8F2O
Molecular Weight158.15 g/mol
Exact Mass158.05
IUPAC Name3-ethyl-4,5-difluorophenol
SMILESCCc1cc(O)cc(F)c1F
InChIInChI=1S/C8H8F2O/c1-2-5-3-6(11)4-7(9)8(5)10/h3-4,11H,2H2,1H3
InChIKeyDCKJKWBIAKNFRH-UHFFFAOYSA-N
XLogP2.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5-difluorophenol?
The IUPAC name of 3-ethyl-4,5-difluorophenol (CID 147335111) is 3-ethyl-4,5-difluorophenol.
What is the SMILES notation for 3-ethyl-4,5-difluorophenol?
The canonical SMILES for 3-ethyl-4,5-difluorophenol is CCc1cc(O)cc(F)c1F.
What is the InChIKey of 3-ethyl-4,5-difluorophenol?
The InChIKey is DCKJKWBIAKNFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O/c1-2-5-3-6(11)4-7(9)8(5)10/h3-4,11H,2H2,1H3.
What are the key properties of 3-ethyl-4,5-difluorophenol?
3-ethyl-4,5-difluorophenol has a molecular weight of 158.15 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-difluorophenol is sourced from PubChem (CID 147335111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).