4-(2,6-difluoro-4-methylphenyl)-2,5-difluorophenol

C13H8F4O — CID 153104252

IUPAC4-(2,6-difluoro-4-methylphenyl)-2,5-difluorophenol
SMILESCc1cc(F)c(-c2cc(F)c(O)cc2F)c(F)c1
InChIInChI=1S/C13H8F4O/c1-6-2-10(16)13(11(17)3-6)7-4-9(15)12(18)5-8(7)14/h2-5,18H,1H3
InChIKeyVRRDBSKQUFOASA-UHFFFAOYSA-N
MW256.20 g/mol
LogP3.92
Rot. Bonds1

About 4-(2,6-difluoro-4-methylphenyl)-2,5-difluorophenol

4-(2,6-difluoro-4-methylphenyl)-2,5-difluorophenol (PubChem CID 153104252) has the molecular formula C13H8F4O and a molecular weight of 256.20 g/mol. Its IUPAC name is 4-(2,6-difluoro-4-methylphenyl)-2,5-difluorophenol.

Molecular Properties

Compound Name4-(2,6-difluoro-4-methylphenyl)-2,5-difluorophenol
PubChem CID153104252
Molecular FormulaC13H8F4O
Molecular Weight256.20 g/mol
Exact Mass256.05
IUPAC Name4-(2,6-difluoro-4-methylphenyl)-2,5-difluorophenol
SMILESCc1cc(F)c(-c2cc(F)c(O)cc2F)c(F)c1
InChIInChI=1S/C13H8F4O/c1-6-2-10(16)13(11(17)3-6)7-4-9(15)12(18)5-8(7)14/h2-5,18H,1H3
InChIKeyVRRDBSKQUFOASA-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-difluoro-4-methylphenol;rutherfordium
CID 59884291
ethane;3-fluoro-2,5-dimethylphenol
CID 142108626
2,5-difluoro-4-(2-fluoro-4-hydroxyphenyl)phenol
CID 118286159
2-fluoro-4-(2-fluoro-4-methylphenyl)phenol
CID 53219309
1,3-difluoro-2-[3-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-5-methylbenzene
CID 137449218
CID 144806033
CID 144806033
2,6-difluoro-4-methylphenol;prop-1-yne
CID 143527577
4-(2,6-difluoro-4-methylphenyl)-7-fluoro-2,3-dihydro-1H-indene
CID 126702250
2-chloro-5-fluorobenzene-1,4-diol
CID 45119169
2-azido-1,3-difluoro-5-methylbenzene
CID 151145909
4,5-difluoro-2-(2,3,4,5,6-pentachlorophenyl)phenol
CID 118800996
4-[(1R)-1-aminopropyl]-2,5-difluorophenol
CID 55274209

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-4-methylphenyl)-2,5-difluorophenol?
The IUPAC name of 4-(2,6-difluoro-4-methylphenyl)-2,5-difluorophenol (CID 153104252) is 4-(2,6-difluoro-4-methylphenyl)-2,5-difluorophenol.
What is the SMILES notation for 4-(2,6-difluoro-4-methylphenyl)-2,5-difluorophenol?
The canonical SMILES for 4-(2,6-difluoro-4-methylphenyl)-2,5-difluorophenol is Cc1cc(F)c(-c2cc(F)c(O)cc2F)c(F)c1.
What is the InChIKey of 4-(2,6-difluoro-4-methylphenyl)-2,5-difluorophenol?
The InChIKey is VRRDBSKQUFOASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4O/c1-6-2-10(16)13(11(17)3-6)7-4-9(15)12(18)5-8(7)14/h2-5,18H,1H3.
What are the key properties of 4-(2,6-difluoro-4-methylphenyl)-2,5-difluorophenol?
4-(2,6-difluoro-4-methylphenyl)-2,5-difluorophenol has a molecular weight of 256.20 g/mol, XLogP of 3.92, 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-4-methylphenyl)-2,5-difluorophenol is sourced from PubChem (CID 153104252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).