2-(3,5-difluoro-2-methylphenoxy)ethanol;ethane

C11H16F2O2 — CID 169135247

IUPAC2-(3,5-difluoro-2-methylphenoxy)ethanol;ethane
SMILESCC.Cc1c(F)cc(F)cc1OCCO
InChIInChI=1S/C9H10F2O2.C2H6/c1-6-8(11)4-7(10)5-9(6)13-3-2-12;1-2/h4-5,12H,2-3H2,1H3;1-2H3
InChIKeyGTAUQUHAUIDWDK-UHFFFAOYSA-N
MW218.24 g/mol
LogP2.67
Rot. Bonds3

About 2-(3,5-difluoro-2-methylphenoxy)ethanol;ethane

2-(3,5-difluoro-2-methylphenoxy)ethanol;ethane (PubChem CID 169135247) has the molecular formula C11H16F2O2 and a molecular weight of 218.24 g/mol. Its IUPAC name is 2-(3,5-difluoro-2-methylphenoxy)ethanol;ethane.

Molecular Properties

Compound Name2-(3,5-difluoro-2-methylphenoxy)ethanol;ethane
PubChem CID169135247
Molecular FormulaC11H16F2O2
Molecular Weight218.24 g/mol
Exact Mass218.11
IUPAC Name2-(3,5-difluoro-2-methylphenoxy)ethanol;ethane
SMILESCC.Cc1c(F)cc(F)cc1OCCO
InChIInChI=1S/C9H10F2O2.C2H6/c1-6-8(11)4-7(10)5-9(6)13-3-2-12;1-2/h4-5,12H,2-3H2,1H3;1-2H3
InChIKeyGTAUQUHAUIDWDK-UHFFFAOYSA-N
XLogP2.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-ethoxy-3,5-difluoro-2-methylbenzene
CID 169134909
2-(2-amino-3,5-difluorophenoxy)ethanol
CID 115507300
2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol
CID 14025005
1-(1,3-difluoropropan-2-yloxy)-3,5-difluoro-2-methylbenzene
CID 169135949
2-[2-(2,5-difluorophenoxy)ethoxy]ethanol
CID 63268776
2-(5-fluoro-2-methoxy-4-methylphenoxy)ethanol
CID 70838034
6-(2,5-difluorophenoxy)hexan-1-ol
CID 103867914
2-bromo-1-(2-bromoethoxy)-3,5-difluorobenzene
CID 122582944
4-fluoro-5-(2-hydroxyethoxy)-2-methylbenzamide
CID 68606030
2-[5-(aminomethyl)-2-fluorophenoxy]ethanol;hydrochloride
CID 68743349
1-ethoxy-3-fluoro-2,5-dimethylbenzene
CID 59933400
2-(2,3,4-trifluorophenoxy)ethanol
CID 117051245

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-2-methylphenoxy)ethanol;ethane?
The IUPAC name of 2-(3,5-difluoro-2-methylphenoxy)ethanol;ethane (CID 169135247) is 2-(3,5-difluoro-2-methylphenoxy)ethanol;ethane.
What is the SMILES notation for 2-(3,5-difluoro-2-methylphenoxy)ethanol;ethane?
The canonical SMILES for 2-(3,5-difluoro-2-methylphenoxy)ethanol;ethane is CC.Cc1c(F)cc(F)cc1OCCO.
What is the InChIKey of 2-(3,5-difluoro-2-methylphenoxy)ethanol;ethane?
The InChIKey is GTAUQUHAUIDWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2.C2H6/c1-6-8(11)4-7(10)5-9(6)13-3-2-12;1-2/h4-5,12H,2-3H2,1H3;1-2H3.
What are the key properties of 2-(3,5-difluoro-2-methylphenoxy)ethanol;ethane?
2-(3,5-difluoro-2-methylphenoxy)ethanol;ethane has a molecular weight of 218.24 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-2-methylphenoxy)ethanol;ethane is sourced from PubChem (CID 169135247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).