2,6-difluoro-4-methylphenol;rutherfordium

C7H6F2ORf — CID 59884291

IUPAC2,6-difluoro-4-methylphenol;rutherfordium
SMILESCc1cc(F)c(O)c(F)c1.[Rf]
InChIInChI=1S/C7H6F2O.Rf/c1-4-2-5(8)7(10)6(9)3-4;/h2-3,10H,1H3;
InChIKeyNJUSRQCEZQAJBK-UHFFFAOYSA-N
MW411.12 g/mol
LogP1.98
Rot. Bonds

About 2,6-difluoro-4-methylphenol;rutherfordium

2,6-difluoro-4-methylphenol;rutherfordium (PubChem CID 59884291) has the molecular formula C7H6F2ORf and a molecular weight of 411.12 g/mol. Its IUPAC name is 2,6-difluoro-4-methylphenol;rutherfordium.

Molecular Properties

Compound Name2,6-difluoro-4-methylphenol;rutherfordium
PubChem CID59884291
Molecular FormulaC7H6F2ORf
Molecular Weight411.12 g/mol
Exact Mass411.16
IUPAC Name2,6-difluoro-4-methylphenol;rutherfordium
SMILESCc1cc(F)c(O)c(F)c1.[Rf]
InChIInChI=1S/C7H6F2O.Rf/c1-4-2-5(8)7(10)6(9)3-4;/h2-3,10H,1H3;
InChIKeyNJUSRQCEZQAJBK-UHFFFAOYSA-N
XLogP1.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.12
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-difluoro-4-methylphenol;prop-1-yne
CID 143527577
2-fluoro-6-(hydroxymethyl)-4-methylphenol
CID 84650325
methanol;2,4,6-trifluorophenol
CID 145053745
ethane;3-fluoro-2,5-dimethylphenol
CID 142108626
2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-4-methylphenol
CID 131052800
2-fluoro-6-(3-hydroxypropyl)-4-methylphenol
CID 117279810
CID 144806033
CID 144806033
2,6-difluoro-4-methylbenzoate
CID 86307703
2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol
CID 117285395
3,6-difluoro-4-methylbenzene-1,2-diol
CID 20702368
2-(3-fluoro-2-hydroxy-5-methylphenyl)-3-methylbutanoic acid
CID 83892520
2-[(1S)-1-aminoprop-2-enyl]-6-fluoro-4-methylphenol;hydrochloride
CID 171253734

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-methylphenol;rutherfordium?
The IUPAC name of 2,6-difluoro-4-methylphenol;rutherfordium (CID 59884291) is 2,6-difluoro-4-methylphenol;rutherfordium.
What is the SMILES notation for 2,6-difluoro-4-methylphenol;rutherfordium?
The canonical SMILES for 2,6-difluoro-4-methylphenol;rutherfordium is Cc1cc(F)c(O)c(F)c1.[Rf].
What is the InChIKey of 2,6-difluoro-4-methylphenol;rutherfordium?
The InChIKey is NJUSRQCEZQAJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2O.Rf/c1-4-2-5(8)7(10)6(9)3-4;/h2-3,10H,1H3;.
What are the key properties of 2,6-difluoro-4-methylphenol;rutherfordium?
2,6-difluoro-4-methylphenol;rutherfordium has a molecular weight of 411.12 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 2,6-difluoro-4-methylphenol;rutherfordium is sourced from PubChem (CID 59884291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).