2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanol

C7H7F3O2 — CID 130846062

IUPAC2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanol
SMILESCc1occc1C(O)C(F)(F)F
InChIInChI=1S/C7H7F3O2/c1-4-5(2-3-12-4)6(11)7(8,9)10/h2-3,6,11H,1H3
InChIKeyCMIUOYDFBMGUHV-UHFFFAOYSA-N
MW180.12 g/mol
LogP2.18
Rot. Bonds1

About 2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanol

2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanol (PubChem CID 130846062) has the molecular formula C7H7F3O2 and a molecular weight of 180.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanol
PubChem CID130846062
Molecular FormulaC7H7F3O2
Molecular Weight180.12 g/mol
Exact Mass180.04
IUPAC Name2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanol
SMILESCc1occc1C(O)C(F)(F)F
InChIInChI=1S/C7H7F3O2/c1-4-5(2-3-12-4)6(11)7(8,9)10/h2-3,6,11H,1H3
InChIKeyCMIUOYDFBMGUHV-UHFFFAOYSA-N
XLogP2.18
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.12
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanol (CID 130846062) is 2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanol is Cc1occc1C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanol?
The InChIKey is CMIUOYDFBMGUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O2/c1-4-5(2-3-12-4)6(11)7(8,9)10/h2-3,6,11H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanol?
2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanol has a molecular weight of 180.12 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanol is sourced from PubChem (CID 130846062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).