1-(furan-3-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol

C13H11F3O3 — CID 115467220

IUPAC1-(furan-3-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol
SMILESCC(O)(c1ccoc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H11F3O3/c1-12(17,9-6-7-18-8-9)10-4-2-3-5-11(10)19-13(14,15)16/h2-8,17H,1H3
InChIKeyVWVHGEVSWGDTQO-UHFFFAOYSA-N
MW272.22 g/mol
LogP3.43
Rot. Bonds3

About 1-(furan-3-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol

1-(furan-3-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol (PubChem CID 115467220) has the molecular formula C13H11F3O3 and a molecular weight of 272.22 g/mol. Its IUPAC name is 1-(furan-3-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-(furan-3-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol
PubChem CID115467220
Molecular FormulaC13H11F3O3
Molecular Weight272.22 g/mol
Exact Mass272.07
IUPAC Name1-(furan-3-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol
SMILESCC(O)(c1ccoc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H11F3O3/c1-12(17,9-6-7-18-8-9)10-4-2-3-5-11(10)19-13(14,15)16/h2-8,17H,1H3
InChIKeyVWVHGEVSWGDTQO-UHFFFAOYSA-N
XLogP3.43
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 115467245
1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 62787433
1-(3-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 62787438
3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol
CID 113302790
1-(2,5-dimethylphenyl)-1-(furan-3-yl)ethanol
CID 63950172
4-[2-(trifluoromethoxy)phenyl]heptan-4-ol
CID 114866167
1-(4-fluorophenyl)-1-(2-methoxyphenyl)ethanol
CID 60793238
2-hydroxy-2-phenyl-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 139932194
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
1-(3,4-dihydro-2H-chromen-8-yl)-1-(furan-3-yl)ethanol
CID 114743643
1-(4-tert-butylphenyl)-1-(2-methoxyphenyl)ethanol
CID 62549935
2-[2-(trifluoromethoxy)phenyl]heptan-2-ol
CID 80557865

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 1-(furan-3-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol (CID 115467220) is 1-(furan-3-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 1-(furan-3-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 1-(furan-3-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol is CC(O)(c1ccoc1)c1ccccc1OC(F)(F)F.
What is the InChIKey of 1-(furan-3-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is VWVHGEVSWGDTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3O3/c1-12(17,9-6-7-18-8-9)10-4-2-3-5-11(10)19-13(14,15)16/h2-8,17H,1H3.
What are the key properties of 1-(furan-3-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol?
1-(furan-3-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 272.22 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 115467220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).