4-(2,6-difluoro-3-methylphenyl)-3-fluorophenol

C13H9F3O — CID 83130296

IUPAC4-(2,6-difluoro-3-methylphenyl)-3-fluorophenol
SMILESCc1ccc(F)c(-c2ccc(O)cc2F)c1F
InChIInChI=1S/C13H9F3O/c1-7-2-5-10(14)12(13(7)16)9-4-3-8(17)6-11(9)15/h2-6,17H,1H3
InChIKeyNMDBYVIANRPUIK-UHFFFAOYSA-N
MW238.21 g/mol
LogP3.78
Rot. Bonds1

About 4-(2,6-difluoro-3-methylphenyl)-3-fluorophenol

4-(2,6-difluoro-3-methylphenyl)-3-fluorophenol (PubChem CID 83130296) has the molecular formula C13H9F3O and a molecular weight of 238.21 g/mol. Its IUPAC name is 4-(2,6-difluoro-3-methylphenyl)-3-fluorophenol.

Molecular Properties

Compound Name4-(2,6-difluoro-3-methylphenyl)-3-fluorophenol
PubChem CID83130296
Molecular FormulaC13H9F3O
Molecular Weight238.21 g/mol
Exact Mass238.06
IUPAC Name4-(2,6-difluoro-3-methylphenyl)-3-fluorophenol
SMILESCc1ccc(F)c(-c2ccc(O)cc2F)c1F
InChIInChI=1S/C13H9F3O/c1-7-2-5-10(14)12(13(7)16)9-4-3-8(17)6-11(9)15/h2-6,17H,1H3
InChIKeyNMDBYVIANRPUIK-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-3-methylphenyl)-3-fluorophenol?
The IUPAC name of 4-(2,6-difluoro-3-methylphenyl)-3-fluorophenol (CID 83130296) is 4-(2,6-difluoro-3-methylphenyl)-3-fluorophenol.
What is the SMILES notation for 4-(2,6-difluoro-3-methylphenyl)-3-fluorophenol?
The canonical SMILES for 4-(2,6-difluoro-3-methylphenyl)-3-fluorophenol is Cc1ccc(F)c(-c2ccc(O)cc2F)c1F.
What is the InChIKey of 4-(2,6-difluoro-3-methylphenyl)-3-fluorophenol?
The InChIKey is NMDBYVIANRPUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O/c1-7-2-5-10(14)12(13(7)16)9-4-3-8(17)6-11(9)15/h2-6,17H,1H3.
What are the key properties of 4-(2,6-difluoro-3-methylphenyl)-3-fluorophenol?
4-(2,6-difluoro-3-methylphenyl)-3-fluorophenol has a molecular weight of 238.21 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-3-methylphenyl)-3-fluorophenol is sourced from PubChem (CID 83130296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).