2-ethyl-4,6-difluoro-3-methylphenol

C9H10F2O — CID 134178031

IUPAC2-ethyl-4,6-difluoro-3-methylphenol
SMILESCCc1c(C)c(F)cc(F)c1O
InChIInChI=1S/C9H10F2O/c1-3-6-5(2)7(10)4-8(11)9(6)12/h4,12H,3H2,1-2H3
InChIKeyCVEZIPRZLUWCNB-UHFFFAOYSA-N
MW172.17 g/mol
LogP2.54
Rot. Bonds1

About 2-ethyl-4,6-difluoro-3-methylphenol

2-ethyl-4,6-difluoro-3-methylphenol (PubChem CID 134178031) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is 2-ethyl-4,6-difluoro-3-methylphenol.

Molecular Properties

Compound Name2-ethyl-4,6-difluoro-3-methylphenol
PubChem CID134178031
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name2-ethyl-4,6-difluoro-3-methylphenol
SMILESCCc1c(C)c(F)cc(F)c1O
InChIInChI=1S/C9H10F2O/c1-3-6-5(2)7(10)4-8(11)9(6)12/h4,12H,3H2,1-2H3
InChIKeyCVEZIPRZLUWCNB-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,6-difluoro-3-methylphenol?
The IUPAC name of 2-ethyl-4,6-difluoro-3-methylphenol (CID 134178031) is 2-ethyl-4,6-difluoro-3-methylphenol.
What is the SMILES notation for 2-ethyl-4,6-difluoro-3-methylphenol?
The canonical SMILES for 2-ethyl-4,6-difluoro-3-methylphenol is CCc1c(C)c(F)cc(F)c1O.
What is the InChIKey of 2-ethyl-4,6-difluoro-3-methylphenol?
The InChIKey is CVEZIPRZLUWCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O/c1-3-6-5(2)7(10)4-8(11)9(6)12/h4,12H,3H2,1-2H3.
What are the key properties of 2-ethyl-4,6-difluoro-3-methylphenol?
2-ethyl-4,6-difluoro-3-methylphenol has a molecular weight of 172.17 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,6-difluoro-3-methylphenol is sourced from PubChem (CID 134178031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).