1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol

C13H15F5O2 — CID 106881222

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
SMILESCc1cc(C)c(C(O)COCC(F)(F)C(F)F)c(F)c1
InChIInChI=1S/C13H15F5O2/c1-7-3-8(2)11(9(14)4-7)10(19)5-20-6-13(17,18)12(15)16/h3-4,10,12,19H,5-6H2,1-2H3
InChIKeyGOIVWIVLMDDGSP-UHFFFAOYSA-N
MW298.25 g/mol
LogP3.39
Rot. Bonds6

About 1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol

1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol (PubChem CID 106881222) has the molecular formula C13H15F5O2 and a molecular weight of 298.25 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
PubChem CID106881222
Molecular FormulaC13H15F5O2
Molecular Weight298.25 g/mol
Exact Mass298.10
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
SMILESCc1cc(C)c(C(O)COCC(F)(F)C(F)F)c(F)c1
InChIInChI=1S/C13H15F5O2/c1-7-3-8(2)11(9(14)4-7)10(19)5-20-6-13(17,18)12(15)16/h3-4,10,12,19H,5-6H2,1-2H3
InChIKeyGOIVWIVLMDDGSP-UHFFFAOYSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethanol
CID 106881025
1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106884137
[1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 106884466
1-(4-chloro-2-fluorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473924
1-(2-fluoro-4-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473939
1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 103474840
2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106881116
1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474191
1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol
CID 106881058
1-(2-fluoro-4,6-dimethylphenyl)-4-methoxypentan-1-ol
CID 106884071
1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473969
1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474160

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol (CID 106881222) is 1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol is Cc1cc(C)c(C(O)COCC(F)(F)C(F)F)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The InChIKey is GOIVWIVLMDDGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5O2/c1-7-3-8(2)11(9(14)4-7)10(19)5-20-6-13(17,18)12(15)16/h3-4,10,12,19H,5-6H2,1-2H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol has a molecular weight of 298.25 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol is sourced from PubChem (CID 106881222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).