3,5-difluoro-2-methylphenol

C7H6F2O — CID 20580699

IUPAC3,5-difluoro-2-methylphenol
SMILESCc1c(O)cc(F)cc1F
InChIInChI=1S/C7H6F2O/c1-4-6(9)2-5(8)3-7(4)10/h2-3,10H,1H3
InChIKeyHWZGPKSPKDRCNE-UHFFFAOYSA-N
MW144.12 g/mol
LogP1.98
Rot. Bonds

About 3,5-difluoro-2-methylphenol

3,5-difluoro-2-methylphenol (PubChem CID 20580699) has the molecular formula C7H6F2O and a molecular weight of 144.12 g/mol. Its IUPAC name is 3,5-difluoro-2-methylphenol.

Molecular Properties

Compound Name3,5-difluoro-2-methylphenol
PubChem CID20580699
Molecular FormulaC7H6F2O
Molecular Weight144.12 g/mol
Exact Mass144.04
IUPAC Name3,5-difluoro-2-methylphenol
SMILESCc1c(O)cc(F)cc1F
InChIInChI=1S/C7H6F2O/c1-4-6(9)2-5(8)3-7(4)10/h2-3,10H,1H3
InChIKeyHWZGPKSPKDRCNE-UHFFFAOYSA-N
XLogP1.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.12
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-methylphenol?
The IUPAC name of 3,5-difluoro-2-methylphenol (CID 20580699) is 3,5-difluoro-2-methylphenol.
What is the SMILES notation for 3,5-difluoro-2-methylphenol?
The canonical SMILES for 3,5-difluoro-2-methylphenol is Cc1c(O)cc(F)cc1F.
What is the InChIKey of 3,5-difluoro-2-methylphenol?
The InChIKey is HWZGPKSPKDRCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2O/c1-4-6(9)2-5(8)3-7(4)10/h2-3,10H,1H3.
What are the key properties of 3,5-difluoro-2-methylphenol?
3,5-difluoro-2-methylphenol has a molecular weight of 144.12 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-methylphenol is sourced from PubChem (CID 20580699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).