[5-(trifluoromethyl)-2-benzofuran-1-yl]methanol

C10H7F3O2 — CID 90285766

IUPAC[5-(trifluoromethyl)-2-benzofuran-1-yl]methanol
SMILESOCc1occ2cc(C(F)(F)F)ccc12
InChIInChI=1S/C10H7F3O2/c11-10(12,13)7-1-2-8-6(3-7)5-15-9(8)4-14/h1-3,5,14H,4H2
InChIKeyVWTWFVGJTCBJIV-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.94
Rot. Bonds1

About [5-(trifluoromethyl)-2-benzofuran-1-yl]methanol

[5-(trifluoromethyl)-2-benzofuran-1-yl]methanol (PubChem CID 90285766) has the molecular formula C10H7F3O2 and a molecular weight of 216.16 g/mol. Its IUPAC name is [5-(trifluoromethyl)-2-benzofuran-1-yl]methanol.

Molecular Properties

Compound Name[5-(trifluoromethyl)-2-benzofuran-1-yl]methanol
PubChem CID90285766
Molecular FormulaC10H7F3O2
Molecular Weight216.16 g/mol
Exact Mass216.04
IUPAC Name[5-(trifluoromethyl)-2-benzofuran-1-yl]methanol
SMILESOCc1occ2cc(C(F)(F)F)ccc12
InChIInChI=1S/C10H7F3O2/c11-10(12,13)7-1-2-8-6(3-7)5-15-9(8)4-14/h1-3,5,14H,4H2
InChIKeyVWTWFVGJTCBJIV-UHFFFAOYSA-N
XLogP2.94
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-2-benzofuran-1-yl]methanol?
The IUPAC name of [5-(trifluoromethyl)-2-benzofuran-1-yl]methanol (CID 90285766) is [5-(trifluoromethyl)-2-benzofuran-1-yl]methanol.
What is the SMILES notation for [5-(trifluoromethyl)-2-benzofuran-1-yl]methanol?
The canonical SMILES for [5-(trifluoromethyl)-2-benzofuran-1-yl]methanol is OCc1occ2cc(C(F)(F)F)ccc12.
What is the InChIKey of [5-(trifluoromethyl)-2-benzofuran-1-yl]methanol?
The InChIKey is VWTWFVGJTCBJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O2/c11-10(12,13)7-1-2-8-6(3-7)5-15-9(8)4-14/h1-3,5,14H,4H2.
What are the key properties of [5-(trifluoromethyl)-2-benzofuran-1-yl]methanol?
[5-(trifluoromethyl)-2-benzofuran-1-yl]methanol has a molecular weight of 216.16 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-2-benzofuran-1-yl]methanol is sourced from PubChem (CID 90285766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).