2,2,2-trifluoro-1-(furan-2-ylmethoxy)ethanol

C7H7F3O3 — CID 69288025

IUPAC2,2,2-trifluoro-1-(furan-2-ylmethoxy)ethanol
SMILESOC(OCc1ccco1)C(F)(F)F
InChIInChI=1S/C7H7F3O3/c8-7(9,10)6(11)13-4-5-2-1-3-12-5/h1-3,6,11H,4H2
InChIKeyRPMDXSDFNQBWHJ-UHFFFAOYSA-N
MW196.12 g/mol
LogP1.68
Rot. Bonds3

About 2,2,2-trifluoro-1-(furan-2-ylmethoxy)ethanol

2,2,2-trifluoro-1-(furan-2-ylmethoxy)ethanol (PubChem CID 69288025) has the molecular formula C7H7F3O3 and a molecular weight of 196.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(furan-2-ylmethoxy)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(furan-2-ylmethoxy)ethanol
PubChem CID69288025
Molecular FormulaC7H7F3O3
Molecular Weight196.12 g/mol
Exact Mass196.03
IUPAC Name2,2,2-trifluoro-1-(furan-2-ylmethoxy)ethanol
SMILESOC(OCc1ccco1)C(F)(F)F
InChIInChI=1S/C7H7F3O3/c8-7(9,10)6(11)13-4-5-2-1-3-12-5/h1-3,6,11H,4H2
InChIKeyRPMDXSDFNQBWHJ-UHFFFAOYSA-N
XLogP1.68
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.12
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-ylmethoxy)ethanol
CID 20517704
(1R)-1-(furan-2-ylmethoxy)propane-1,2-diol
CID 69117104
2-fluoro-2-(furan-2-ylmethoxy)acetic acid
CID 79357493
2-(4-fluorophenyl)-2-(furan-2-ylmethoxy)ethanamine
CID 55014972
2-(butan-2-yloxymethyl)furan
CID 118563774
2-(furan-2-ylmethoxymethyl)furan;propane-1,2,3-triol
CID 174940429
1-[2-(furan-2-ylmethoxy)ethoxy]ethanol
CID 20517706
1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 2738628
(2R)-1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 7221655
furan-2-ylmethoxysilane
CID 130768813
2-(fluoromethoxymethyl)furan
CID 143116843
1-(4-fluorophenyl)-1-(furan-2-ylmethoxy)propan-2-amine
CID 55014973

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(furan-2-ylmethoxy)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(furan-2-ylmethoxy)ethanol (CID 69288025) is 2,2,2-trifluoro-1-(furan-2-ylmethoxy)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(furan-2-ylmethoxy)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(furan-2-ylmethoxy)ethanol is OC(OCc1ccco1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(furan-2-ylmethoxy)ethanol?
The InChIKey is RPMDXSDFNQBWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O3/c8-7(9,10)6(11)13-4-5-2-1-3-12-5/h1-3,6,11H,4H2.
What are the key properties of 2,2,2-trifluoro-1-(furan-2-ylmethoxy)ethanol?
2,2,2-trifluoro-1-(furan-2-ylmethoxy)ethanol has a molecular weight of 196.12 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(furan-2-ylmethoxy)ethanol is sourced from PubChem (CID 69288025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).