2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol

C14H14F4O2 — CID 166532172

IUPAC2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol
SMILESCCc1c(C(O)(CC)C(F)(F)F)oc2ccc(F)cc12
InChIInChI=1S/C14H14F4O2/c1-3-9-10-7-8(15)5-6-11(10)20-12(9)13(19,4-2)14(16,17)18/h5-7,19H,3-4H2,1-2H3
InChIKeyPFQCBDZSMROVNZ-UHFFFAOYSA-N
MW290.26 g/mol
LogP4.29
Rot. Bonds3

About 2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol

2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol (PubChem CID 166532172) has the molecular formula C14H14F4O2 and a molecular weight of 290.26 g/mol. Its IUPAC name is 2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol
PubChem CID166532172
Molecular FormulaC14H14F4O2
Molecular Weight290.26 g/mol
Exact Mass290.09
IUPAC Name2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol
SMILESCCc1c(C(O)(CC)C(F)(F)F)oc2ccc(F)cc12
InChIInChI=1S/C14H14F4O2/c1-3-9-10-7-8(15)5-6-11(10)20-12(9)13(19,4-2)14(16,17)18/h5-7,19H,3-4H2,1-2H3
InChIKeyPFQCBDZSMROVNZ-UHFFFAOYSA-N
XLogP4.29
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol?
The IUPAC name of 2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol (CID 166532172) is 2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for 2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for 2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol is CCc1c(C(O)(CC)C(F)(F)F)oc2ccc(F)cc12.
What is the InChIKey of 2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol?
The InChIKey is PFQCBDZSMROVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4O2/c1-3-9-10-7-8(15)5-6-11(10)20-12(9)13(19,4-2)14(16,17)18/h5-7,19H,3-4H2,1-2H3.
What are the key properties of 2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol?
2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol has a molecular weight of 290.26 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 166532172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).