2,6-difluoro-3-methylphenol;ethane

C9H12F2O — CID 143572521

IUPAC2,6-difluoro-3-methylphenol;ethane
SMILESCC.Cc1ccc(F)c(O)c1F
InChIInChI=1S/C7H6F2O.C2H6/c1-4-2-3-5(8)7(10)6(4)9;1-2/h2-3,10H,1H3;1-2H3
InChIKeyFRKHRFXLTCPNEH-UHFFFAOYSA-N
MW174.19 g/mol
LogP3.01
Rot. Bonds

About 2,6-difluoro-3-methylphenol;ethane

2,6-difluoro-3-methylphenol;ethane (PubChem CID 143572521) has the molecular formula C9H12F2O and a molecular weight of 174.19 g/mol. Its IUPAC name is 2,6-difluoro-3-methylphenol;ethane.

Molecular Properties

Compound Name2,6-difluoro-3-methylphenol;ethane
PubChem CID143572521
Molecular FormulaC9H12F2O
Molecular Weight174.19 g/mol
Exact Mass174.09
IUPAC Name2,6-difluoro-3-methylphenol;ethane
SMILESCC.Cc1ccc(F)c(O)c1F
InChIInChI=1S/C7H6F2O.C2H6/c1-4-2-3-5(8)7(10)6(4)9;1-2/h2-3,10H,1H3;1-2H3
InChIKeyFRKHRFXLTCPNEH-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-difluoro-2-methylphenol
CID 66721696
2,4-difluorobenzene-1,3-diol
CID 10844515
ethane;2-fluoro-6-methylphenol
CID 162729094
3-fluoro-2-hydroxy-6-methylbenzoic acid
CID 64855766
2-amino-3-fluoro-6-methylphenol
CID 131278270
3,6-difluoro-4-methylbenzene-1,2-diol
CID 20702368
3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol
CID 117276872
1-(3-fluoro-2-hydroxy-4-methylphenyl)ethanone
CID 117276578
2-fluoro-6-(1-hydroxyethyl)-3-methylphenol
CID 117276805
3-fluoro-2-hydroxy-4-methylbenzonitrile
CID 117275995
1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one
CID 84658379
6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol
CID 84659094

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methylphenol;ethane?
The IUPAC name of 2,6-difluoro-3-methylphenol;ethane (CID 143572521) is 2,6-difluoro-3-methylphenol;ethane.
What is the SMILES notation for 2,6-difluoro-3-methylphenol;ethane?
The canonical SMILES for 2,6-difluoro-3-methylphenol;ethane is CC.Cc1ccc(F)c(O)c1F.
What is the InChIKey of 2,6-difluoro-3-methylphenol;ethane?
The InChIKey is FRKHRFXLTCPNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2O.C2H6/c1-4-2-3-5(8)7(10)6(4)9;1-2/h2-3,10H,1H3;1-2H3.
What are the key properties of 2,6-difluoro-3-methylphenol;ethane?
2,6-difluoro-3-methylphenol;ethane has a molecular weight of 174.19 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methylphenol;ethane is sourced from PubChem (CID 143572521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).