1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol

C11H12F4O2 — CID 103210363

IUPAC1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol
SMILESCc1cc(C(O)COCC(F)(F)F)ccc1F
InChIInChI=1S/C11H12F4O2/c1-7-4-8(2-3-9(7)12)10(16)5-17-6-11(13,14)15/h2-4,10,16H,5-6H2,1H3
InChIKeyMTIOWKKGSGGVJF-UHFFFAOYSA-N
MW252.21 g/mol
LogP2.75
Rot. Bonds4

About 1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol

1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol (PubChem CID 103210363) has the molecular formula C11H12F4O2 and a molecular weight of 252.21 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol
PubChem CID103210363
Molecular FormulaC11H12F4O2
Molecular Weight252.21 g/mol
Exact Mass252.08
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol
SMILESCc1cc(C(O)COCC(F)(F)F)ccc1F
InChIInChI=1S/C11H12F4O2/c1-7-4-8(2-3-9(7)12)10(16)5-17-6-11(13,14)15/h2-4,10,16H,5-6H2,1H3
InChIKeyMTIOWKKGSGGVJF-UHFFFAOYSA-N
XLogP2.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 167965168
1-(4-sulfanylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 123889805
(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
CID 93182268
(1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol
CID 162372103
1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 60929106
1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 63410710
2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol
CID 79568215
1-(4-fluoro-3-methylphenyl)-3-(3-methylbutoxy)propan-1-ol
CID 55095039
methyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate
CID 62121072
2-tert-butylsulfanyl-1-(4-fluoro-3-methylphenyl)ethanol
CID 65132980
1-[2,4-di(propan-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanol
CID 103210128
[1-(3,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217414

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol (CID 103210363) is 1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol is Cc1cc(C(O)COCC(F)(F)F)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol?
The InChIKey is MTIOWKKGSGGVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O2/c1-7-4-8(2-3-9(7)12)10(16)5-17-6-11(13,14)15/h2-4,10,16H,5-6H2,1H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol?
1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol has a molecular weight of 252.21 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol is sourced from PubChem (CID 103210363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).